(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride

C19H23ClN2O — CID 119737788

IUPAC(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCCCCC2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O.ClH/c20-17-12-10-16(11-13-17)19(22)21-14-6-2-5-9-18(21)15-7-3-1-4-8-15;/h1,3-4,7-8,10-13,18H,2,5-6,9,14,20H2;1H
InChIKeyYTKKDNBWOIOFTP-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.45
Rot. Bonds2

About (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride

(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride (PubChem CID 119737788) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
PubChem CID119737788
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCCCCC2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O.ClH/c20-17-12-10-16(11-13-17)19(22)21-14-6-2-5-9-18(21)15-7-3-1-4-8-15;/h1,3-4,7-8,10-13,18H,2,5-6,9,14,20H2;1H
InChIKeyYTKKDNBWOIOFTP-UHFFFAOYSA-N
XLogP4.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
CID 56545893
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide
CID 167491595
[2-(furan-3-yl)piperidin-1-yl]-phenylmethanone
CID 102544350
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
CID 119313132
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride (CID 119737788) is (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride is Cl.Nc1ccc(C(=O)N2CCCCCC2c2ccccc2)cc1.
What is the InChIKey of (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride?
The InChIKey is YTKKDNBWOIOFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c20-17-12-10-16(11-13-17)19(22)21-14-6-2-5-9-18(21)15-7-3-1-4-8-15;/h1,3-4,7-8,10-13,18H,2,5-6,9,14,20H2;1H.
What are the key properties of (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride?
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119737788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).