N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine

C30H48N2 — CID 146620917

IUPACN-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine
SMILESCCNC(CC(C)(C)Cc1ccc(C(CC(C)(C)C)NCC)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C30H48N2/c1-10-31-27(25-14-12-13-22(3)17-25)21-30(8,9)19-24-15-16-26(23(4)18-24)28(32-11-2)20-29(5,6)7/h12-18,27-28,31-32H,10-11,19-21H2,1-9H3
InChIKeyTVCXJCWDWLCVMD-UHFFFAOYSA-N
MW436.73 g/mol
LogP7.70
Rot. Bonds11

About N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine

N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine (PubChem CID 146620917) has the molecular formula C30H48N2 and a molecular weight of 436.73 g/mol. Its IUPAC name is N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine
PubChem CID146620917
Molecular FormulaC30H48N2
Molecular Weight436.73 g/mol
Exact Mass436.38
IUPAC NameN-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine
SMILESCCNC(CC(C)(C)Cc1ccc(C(CC(C)(C)C)NCC)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C30H48N2/c1-10-31-27(25-14-12-13-22(3)17-25)21-30(8,9)19-24-15-16-26(23(4)18-24)28(32-11-2)20-29(5,6)7/h12-18,27-28,31-32H,10-11,19-21H2,1-9H3
InChIKeyTVCXJCWDWLCVMD-UHFFFAOYSA-N
XLogP7.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(1-amino-3,3-dimethylbutyl)-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine
CID 146621780
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
CID 161019396
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
CID 164969184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine (CID 146620917) is N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine is CCNC(CC(C)(C)Cc1ccc(C(CC(C)(C)C)NCC)c(C)c1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine?
The InChIKey is TVCXJCWDWLCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2/c1-10-31-27(25-14-12-13-22(3)17-25)21-30(8,9)19-24-15-16-26(23(4)18-24)28(32-11-2)20-29(5,6)7/h12-18,27-28,31-32H,10-11,19-21H2,1-9H3.
What are the key properties of N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine?
N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine has a molecular weight of 436.73 g/mol, XLogP of 7.70, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 146620917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).