N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine

C18H30N2O — CID 65073855

IUPACN-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCOc1cccc(C(C)NC2CCCN(C(C)C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-14(2)20-11-6-8-17(10-12-20)19-15(3)16-7-5-9-18(13-16)21-4/h5,7,9,13-15,17,19H,6,8,10-12H2,1-4H3
InChIKeyBCPDQTYHXOBMBV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine

N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65073855) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
PubChem CID65073855
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
SMILESCOc1cccc(C(C)NC2CCCN(C(C)C)CC2)c1
InChIInChI=1S/C18H30N2O/c1-14(2)20-11-6-8-17(10-12-20)19-15(3)16-7-5-9-18(13-16)21-4/h5,7,9,13-15,17,19H,6,8,10-12H2,1-4H3
InChIKeyBCPDQTYHXOBMBV-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-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

N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690670
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
CID 65072495
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine (CID 65073855) is N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine is COc1cccc(C(C)NC2CCCN(C(C)C)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is BCPDQTYHXOBMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)20-11-6-8-17(10-12-20)19-15(3)16-7-5-9-18(13-16)21-4/h5,7,9,13-15,17,19H,6,8,10-12H2,1-4H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine?
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65073855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).