1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine

C18H30N2 — CID 79553763

IUPAC1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccccc1C(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C18H30N2/c1-14-9-6-7-11-18(14)16(3)20-15(2)13-17-10-5-4-8-12-19-17/h6-7,9,11,15-17,19-20H,4-5,8,10,12-13H2,1-3H3
InChIKeyUIMSUJQAOBUKLQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.96
Rot. Bonds5

About 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine

1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine (PubChem CID 79553763) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
PubChem CID79553763
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccccc1C(C)NC(C)CC1CCCCCN1
InChIInChI=1S/C18H30N2/c1-14-9-6-7-11-18(14)16(3)20-15(2)13-17-10-5-4-8-12-19-17/h6-7,9,11,15-17,19-20H,4-5,8,10,12-13H2,1-3H3
InChIKeyUIMSUJQAOBUKLQ-UHFFFAOYSA-N
XLogP3.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541870
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine
CID 79559973
1-(azepan-2-yl)-N-[1-(furan-2-yl)ethyl]propan-2-amine
CID 79560545
1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 113489913
1-piperidin-2-yl-N-[(1S)-1-pyridin-2-ylethyl]propan-2-amine
CID 81402179
1-piperidin-2-yl-N-[(1R)-1-pyridin-2-ylethyl]propan-2-amine
CID 81401502
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79538021
N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 79540841

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine (CID 79553763) is 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine is Cc1ccccc1C(C)NC(C)CC1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine?
The InChIKey is UIMSUJQAOBUKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-9-6-7-11-18(14)16(3)20-15(2)13-17-10-5-4-8-12-19-17/h6-7,9,11,15-17,19-20H,4-5,8,10,12-13H2,1-3H3.
What are the key properties of 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine?
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 79553763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).