N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol

C92H143N5O9 — CID 158046318

IUPACN-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol
SMILESCC(C)C1CCC(C)C(COCC(O)CN2CCCc3ccccc32)C1.CC(C)C1CCC(C)C(COCC(O)CN2CCc3ccccc3C2)C1.CC1CN(CC(COCC2CC(C(C)C)CCC2C)NCc2ccccc2)CC(C)O1.COc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C27H46N2O2.2C23H37NO2.C19H23NO3/c1-20(2)25-12-11-21(3)26(13-25)18-30-19-27(28-14-24-9-7-6-8-10-24)17-29-15-22(4)31-23(5)16-29;1-17(2)20-11-10-18(3)21(13-20)15-26-16-22(25)14-24-12-6-8-19-7-4-5-9-23(19)24;1-17(2)20-9-8-18(3)22(12-20)15-26-16-23(25)14-24-11-10-19-6-4-5-7-21(19)13-24;1-22-18-6-8-19(9-7-18)23-14-17(21)13-20-11-10-15-4-2-3-5-16(15)12-20/h6-10,20-23,25-28H,11-19H2,1-5H3;4-5,7,9,17-18,20-22,25H,6,8,10-16H2,1-3H3;4-7,17-18,20,22-23,25H,8-16H2,1-3H3;2-9,17,21H,10-14H2,1H3
InChIKeyFIYLXWAGGSPXSD-UHFFFAOYSA-N
MW1463.18 g/mol
LogP16.13
Rot. Bonds30

About N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol

N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol (PubChem CID 158046318) has the molecular formula C92H143N5O9 and a molecular weight of 1463.18 g/mol. Its IUPAC name is N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol.

Molecular Properties

Compound NameN-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol
PubChem CID158046318
Molecular FormulaC92H143N5O9
Molecular Weight1463.18 g/mol
Exact Mass1462.09
IUPAC NameN-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol
SMILESCC(C)C1CCC(C)C(COCC(O)CN2CCCc3ccccc32)C1.CC(C)C1CCC(C)C(COCC(O)CN2CCc3ccccc3C2)C1.CC1CN(CC(COCC2CC(C(C)C)CCC2C)NCc2ccccc2)CC(C)O1.COc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C27H46N2O2.2C23H37NO2.C19H23NO3/c1-20(2)25-12-11-21(3)26(13-25)18-30-19-27(28-14-24-9-7-6-8-10-24)17-29-15-22(4)31-23(5)16-29;1-17(2)20-11-10-18(3)21(13-20)15-26-16-22(25)14-24-12-6-8-19-7-4-5-9-23(19)24;1-17(2)20-9-8-18(3)22(12-20)15-26-16-23(25)14-24-11-10-19-6-4-5-7-21(19)13-24;1-22-18-6-8-19(9-7-18)23-14-17(21)13-20-11-10-15-4-2-3-5-16(15)12-20/h6-10,20-23,25-28H,11-19H2,1-5H3;4-5,7,9,17-18,20-22,25H,6,8,10-16H2,1-3H3;4-7,17-18,20,22-23,25H,8-16H2,1-3H3;2-9,17,21H,10-14H2,1H3
InChIKeyFIYLXWAGGSPXSD-UHFFFAOYSA-N
XLogP16.13
TPSA141.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001463.18
LogP ≤ 516.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol?
The IUPAC name of N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol (CID 158046318) is N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol.
What is the SMILES notation for N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol?
The canonical SMILES for N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol is CC(C)C1CCC(C)C(COCC(O)CN2CCCc3ccccc32)C1.CC(C)C1CCC(C)C(COCC(O)CN2CCc3ccccc3C2)C1.CC1CN(CC(COCC2CC(C(C)C)CCC2C)NCc2ccccc2)CC(C)O1.COc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1.
What is the InChIKey of N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol?
The InChIKey is FIYLXWAGGSPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2O2.2C23H37NO2.C19H23NO3/c1-20(2)25-12-11-21(3)26(13-25)18-30-19-27(28-14-24-9-7-6-8-10-24)17-29-15-22(4)31-23(5)16-29;1-17(2)20-11-10-18(3)21(13-20)15-26-16-22(25)14-24-12-6-8-19-7-4-5-9-23(19)24;1-17(2)20-9-8-18(3)22(12-20)15-26-16-23(25)14-24-11-10-19-6-4-5-7-21(19)13-24;1-22-18-6-8-19(9-7-18)23-14-17(21)13-20-11-10-15-4-2-3-5-16(15)12-20/h6-10,20-23,25-28H,11-19H2,1-5H3;4-5,7,9,17-18,20-22,25H,6,8,10-16H2,1-3H3;4-7,17-18,20,22-23,25H,8-16H2,1-3H3;2-9,17,21H,10-14H2,1H3.
What are the key properties of N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol?
N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol has a molecular weight of 1463.18 g/mol, XLogP of 16.13, 30 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,6-dimethylmorpholin-4-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-amine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol;1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(2-methyl-5-propan-2-ylcyclohexyl)methoxy]propan-2-ol is sourced from PubChem (CID 158046318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).