1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine

C17H28N2 — CID 112677754

IUPAC1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1N1CCCCCC1
InChIInChI=1S/C17H28N2/c1-3-16(18-4-2)15-11-7-8-12-17(15)19-13-9-5-6-10-14-19/h7-8,11-12,16,18H,3-6,9-10,13-14H2,1-2H3
InChIKeyNNZYSDZBAZIOMR-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds5

About 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine

1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine (PubChem CID 112677754) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
PubChem CID112677754
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1N1CCCCCC1
InChIInChI=1S/C17H28N2/c1-3-16(18-4-2)15-11-7-8-12-17(15)19-13-9-5-6-10-14-19/h7-8,11-12,16,18H,3-6,9-10,13-14H2,1-2H3
InChIKeyNNZYSDZBAZIOMR-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
1-[2-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115994916
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
CID 115995191
1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994832
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine (CID 112677754) is 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1N1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is NNZYSDZBAZIOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-16(18-4-2)15-11-7-8-12-17(15)19-13-9-5-6-10-14-19/h7-8,11-12,16,18H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine?
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 112677754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).