1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C18H22N2O — CID 114335986

IUPAC1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCOc1ccc(CN2CCCC(N)c3ccccc32)cc1
InChIInChI=1S/C18H22N2O/c1-21-15-10-8-14(9-11-15)13-20-12-4-6-17(19)16-5-2-3-7-18(16)20/h2-3,5,7-11,17H,4,6,12-13,19H2,1H3
InChIKeyGNKHHCKDPAMGKB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.50
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114335986) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114335986
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCOc1ccc(CN2CCCC(N)c3ccccc32)cc1
InChIInChI=1S/C18H22N2O/c1-21-15-10-8-14(9-11-15)13-20-12-4-6-17(19)16-5-2-3-7-18(16)20/h2-3,5,7-11,17H,4,6,12-13,19H2,1H3
InChIKeyGNKHHCKDPAMGKB-UHFFFAOYSA-N
XLogP3.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-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-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336059
(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 92595912
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212970
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
1,4-dibenzyl-3,4-dihydro-2H-quinoline
CID 3249530

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114335986) is 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is COc1ccc(CN2CCCC(N)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is GNKHHCKDPAMGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-15-10-8-14(9-11-15)13-20-12-4-6-17(19)16-5-2-3-7-18(16)20/h2-3,5,7-11,17H,4,6,12-13,19H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 282.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114335986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).