2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine

C18H30N2 — CID 79052644

IUPAC2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
SMILESCNC(c1ccccc1C)C(C)(C)N1CCCCCC1
InChIInChI=1S/C18H30N2/c1-15-11-7-8-12-16(15)17(19-4)18(2,3)20-13-9-5-6-10-14-20/h7-8,11-12,17,19H,5-6,9-10,13-14H2,1-4H3
InChIKeyBUFLEMZLELDNPA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds4

About 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine

2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine (PubChem CID 79052644) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
PubChem CID79052644
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine
SMILESCNC(c1ccccc1C)C(C)(C)N1CCCCCC1
InChIInChI=1S/C18H30N2/c1-15-11-7-8-12-16(15)17(19-4)18(2,3)20-13-9-5-6-10-14-20/h7-8,11-12,17,19H,5-6,9-10,13-14H2,1-4H3
InChIKeyBUFLEMZLELDNPA-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114603689
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
CID 82793255
N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 79056816
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162
5-methyl-3-[2-methyl-1-(methylamino)-2-piperidin-1-ylpropyl]pyridin-2-amine
CID 79044875
1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051428
2-(azepan-1-yl)-N,2-dimethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79050659
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056113
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 106762696
1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068490
N,2-dimethyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylbutan-1-amine
CID 79065903

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine (CID 79052644) is 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine is CNC(c1ccccc1C)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is BUFLEMZLELDNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-11-7-8-12-16(15)17(19-4)18(2,3)20-13-9-5-6-10-14-20/h7-8,11-12,17,19H,5-6,9-10,13-14H2,1-4H3.
What are the key properties of 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine?
2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N,2-dimethyl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79052644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).