N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine

C117H201N15O5 — CID 157299871

IUPACN-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine
SMILESCC(C)CNc1cc(N(C)C)ccc1C(C)(C)C.CC(C)CNc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CC(C)N1CCC(Cc2ccc(C(C)(C)C)c(NC3CCOCC3)c2)CC1.CCC(COC)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CN(C)CCOc1ccc(C(C)(C)C)c(NC2CCOCC2)c1.COCC(C)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C
InChIInChI=1S/C24H40N2O.C20H35N3O.C19H33N3O.C19H33N3.C19H32N2O2.C16H28N2/c1-18(2)26-12-8-19(9-13-26)16-20-6-7-22(24(3,4)5)23(17-20)25-21-10-14-27-15-11-21;1-7-16(15-24-6)21-19-14-17(8-9-18(19)20(2,3)4)23-12-10-22(5)11-13-23;1-15(14-23-6)20-18-13-16(7-8-17(18)19(2,3)4)22-11-9-21(5)10-12-22;1-15(2)14-20-18-13-16(7-8-17(18)19(3,4)5)22-11-9-21(6)10-12-22;1-19(2,3)17-7-6-16(23-13-10-21(4)5)14-18(17)20-15-8-11-22-12-9-15;1-12(2)11-17-15-10-13(18(6)7)8-9-14(15)16(3,4)5/h6-7,17-19,21,25H,8-16H2,1-5H3;8-9,14,16,21H,7,10-13,15H2,1-6H3;7-8,13,15,20H,9-12,14H2,1-6H3;7-8,13,15,20H,9-12,14H2,1-6H3;6-7,14-15,20H,8-13H2,1-5H3;8-10,12,17H,11H2,1-7H3
InChIKeyBBTSJUVFNOWPLC-UHFFFAOYSA-N
MW1897.99 g/mol
LogP23.43
Rot. Bonds30

About N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine

N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine (PubChem CID 157299871) has the molecular formula C117H201N15O5 and a molecular weight of 1897.99 g/mol. Its IUPAC name is N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine
PubChem CID157299871
Molecular FormulaC117H201N15O5
Molecular Weight1897.99 g/mol
Exact Mass1896.59
IUPAC NameN-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine
SMILESCC(C)CNc1cc(N(C)C)ccc1C(C)(C)C.CC(C)CNc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CC(C)N1CCC(Cc2ccc(C(C)(C)C)c(NC3CCOCC3)c2)CC1.CCC(COC)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CN(C)CCOc1ccc(C(C)(C)C)c(NC2CCOCC2)c1.COCC(C)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C
InChIInChI=1S/C24H40N2O.C20H35N3O.C19H33N3O.C19H33N3.C19H32N2O2.C16H28N2/c1-18(2)26-12-8-19(9-13-26)16-20-6-7-22(24(3,4)5)23(17-20)25-21-10-14-27-15-11-21;1-7-16(15-24-6)21-19-14-17(8-9-18(19)20(2,3)4)23-12-10-22(5)11-13-23;1-15(14-23-6)20-18-13-16(7-8-17(18)19(2,3)4)22-11-9-21(5)10-12-22;1-15(2)14-20-18-13-16(7-8-17(18)19(3,4)5)22-11-9-21(6)10-12-22;1-19(2,3)17-7-6-16(23-13-10-21(4)5)14-18(17)20-15-8-11-22-12-9-15;1-12(2)11-17-15-10-13(18(6)7)8-9-14(15)16(3,4)5/h6-7,17-19,21,25H,8-16H2,1-5H3;8-9,14,16,21H,7,10-13,15H2,1-6H3;7-8,13,15,20H,9-12,14H2,1-6H3;7-8,13,15,20H,9-12,14H2,1-6H3;6-7,14-15,20H,8-13H2,1-5H3;8-10,12,17H,11H2,1-7H3
InChIKeyBBTSJUVFNOWPLC-UHFFFAOYSA-N
XLogP23.43
TPSA147.49 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms137
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.99
LogP ≤ 523.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine?
The IUPAC name of N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine (CID 157299871) is N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine.
What is the SMILES notation for N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine?
The canonical SMILES for N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine is CC(C)CNc1cc(N(C)C)ccc1C(C)(C)C.CC(C)CNc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CC(C)N1CCC(Cc2ccc(C(C)(C)C)c(NC3CCOCC3)c2)CC1.CCC(COC)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.CN(C)CCOc1ccc(C(C)(C)C)c(NC2CCOCC2)c1.COCC(C)Nc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.
What is the InChIKey of N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine?
The InChIKey is BBTSJUVFNOWPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O.C20H35N3O.C19H33N3O.C19H33N3.C19H32N2O2.C16H28N2/c1-18(2)26-12-8-19(9-13-26)16-20-6-7-22(24(3,4)5)23(17-20)25-21-10-14-27-15-11-21;1-7-16(15-24-6)21-19-14-17(8-9-18(19)20(2,3)4)23-12-10-22(5)11-13-23;1-15(14-23-6)20-18-13-16(7-8-17(18)19(2,3)4)22-11-9-21(5)10-12-22;1-15(2)14-20-18-13-16(7-8-17(18)19(3,4)5)22-11-9-21(6)10-12-22;1-19(2,3)17-7-6-16(23-13-10-21(4)5)14-18(17)20-15-8-11-22-12-9-15;1-12(2)11-17-15-10-13(18(6)7)8-9-14(15)16(3,4)5/h6-7,17-19,21,25H,8-16H2,1-5H3;8-9,14,16,21H,7,10-13,15H2,1-6H3;7-8,13,15,20H,9-12,14H2,1-6H3;7-8,13,15,20H,9-12,14H2,1-6H3;6-7,14-15,20H,8-13H2,1-5H3;8-10,12,17H,11H2,1-7H3.
What are the key properties of N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine?
N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine has a molecular weight of 1897.99 g/mol, XLogP of 23.43, 30 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-5-[2-(dimethylamino)ethoxy]phenyl]oxan-4-amine;4-tert-butyl-1-N,1-N-dimethyl-3-N-(2-methylpropyl)benzene-1,3-diamine;2-tert-butyl-N-(1-methoxybutan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-N-(1-methoxypropan-2-yl)-5-(4-methylpiperazin-1-yl)aniline;2-tert-butyl-5-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)aniline;N-[2-tert-butyl-5-[(1-propan-2-ylpiperidin-4-yl)methyl]phenyl]oxan-4-amine is sourced from PubChem (CID 157299871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).