4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline

C20H26N2O — CID 162647169

IUPAC4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline
SMILESCOc1ccc2c(c1)C[C@@H](C)N(CCc1ccc(N)cc1)CC2
InChIInChI=1S/C20H26N2O/c1-15-13-18-14-20(23-2)8-5-17(18)10-12-22(15)11-9-16-3-6-19(21)7-4-16/h3-8,14-15H,9-13,21H2,1-2H3/t15-/m1/s1
InChIKeyGNCHTURXQMPGMG-OAHLLOKOSA-N
MW310.44 g/mol
LogP3.31
Rot. Bonds4

About 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline

4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline (PubChem CID 162647169) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline
PubChem CID162647169
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline
SMILESCOc1ccc2c(c1)C[C@@H](C)N(CCc1ccc(N)cc1)CC2
InChIInChI=1S/C20H26N2O/c1-15-13-18-14-20(23-2)8-5-17(18)10-12-22(15)11-9-16-3-6-19(21)7-4-16/h3-8,14-15H,9-13,21H2,1-2H3/t15-/m1/s1
InChIKeyGNCHTURXQMPGMG-OAHLLOKOSA-N
XLogP3.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline 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-(7-Methoxynaphthalen-2-yl)piperazine
CID 44351692
(R)-11-Amino-2-methoxyaporphine
CID 44568533
(3,4-Dimethyl-phenyl)-(4-methoxy-benzyl)-amine
CID 775241
3-Phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10067368
4-[[4-(2-Aminoethoxy)-2-methylphenyl]methyl]aniline
CID 118429005
4-Methoxy-alpha-((4-methylphenyl)amino)benzeneacetonitrile
CID 3738018
[2-(3-Amino-phenyl)-ethyl]-(5,6-dimethoxy-indan-2-yl)-propyl-amine
CID 10861170
6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635612
7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23636355
1-(4-aminophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 57401081
1-(3-aminophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 57402844
1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine
CID 164609525

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline?
The IUPAC name of 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline (CID 162647169) is 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline.
What is the SMILES notation for 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline?
The canonical SMILES for 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline is COc1ccc2c(c1)C[C@@H](C)N(CCc1ccc(N)cc1)CC2.
What is the InChIKey of 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline?
The InChIKey is GNCHTURXQMPGMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-13-18-14-20(23-2)8-5-17(18)10-12-22(15)11-9-16-3-6-19(21)7-4-16/h3-8,14-15H,9-13,21H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline?
4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline has a molecular weight of 310.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4R)-7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]aniline is sourced from PubChem (CID 162647169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).