1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride

C17H20ClNO — CID 155432915

IUPAC1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride
SMILESCC(NC(C)c1ccccc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-13(15-9-5-3-6-10-15)18-14(2)17(19)16-11-7-4-8-12-16;/h3-14,18H,1-2H3;1H
InChIKeyLCCMJUGUGQIHGV-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.03
Rot. Bonds5

About 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride

1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride (PubChem CID 155432915) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride
PubChem CID155432915
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride
SMILESCC(NC(C)c1ccccc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-13(15-9-5-3-6-10-15)18-14(2)17(19)16-11-7-4-8-12-16;/h3-14,18H,1-2H3;1H
InChIKeyLCCMJUGUGQIHGV-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 69303198
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
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N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
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2-anilino-1-phenylpropan-1-one
CID 577481
(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 8898640
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
CID 82100066
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
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CID 70280028

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride (CID 155432915) is 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride is CC(NC(C)c1ccccc1)C(=O)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride?
The InChIKey is LCCMJUGUGQIHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-13(15-9-5-3-6-10-15)18-14(2)17(19)16-11-7-4-8-12-16;/h3-14,18H,1-2H3;1H.
What are the key properties of 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride?
1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 155432915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).