1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one

C19H22ClNO2 — CID 110176847

IUPAC1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one
SMILESCOC(CNCCC(=O)c1ccc(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-14-12-16(8-9-17(14)20)18(22)10-11-21-13-19(23-2)15-6-4-3-5-7-15/h3-9,12,19,21H,10-11,13H2,1-2H3
InChIKeyOPQYCBDQHZKAQO-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.20
Rot. Bonds8

About 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one

1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one (PubChem CID 110176847) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one
PubChem CID110176847
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one
SMILESCOC(CNCCC(=O)c1ccc(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-14-12-16(8-9-17(14)20)18(22)10-11-21-13-19(23-2)15-6-4-3-5-7-15/h3-9,12,19,21H,10-11,13H2,1-2H3
InChIKeyOPQYCBDQHZKAQO-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one 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

3-(2-benzhydryloxyethylamino)-1-(3,4-dimethylphenyl)propan-1-one
CID 110177605
4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
CID 55527015
4-(4-chloro-3-methylphenyl)-4-oxobutanenitrile
CID 93213479
N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
3-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]-1-(3,4-dimethylphenyl)propan-1-one
CID 110177622
1-(4-chloro-3-methylphenyl)-4-methylpent-4-en-1-one
CID 115802948
4-(4-chloro-3-methylphenoxy)-1-phenylbutan-1-one
CID 60642749
2-[(2-methoxy-2-phenylethyl)amino]-1-phenylethanol
CID 110176855
1-(4-chloro-3-methylphenyl)pent-4-en-1-one
CID 114974964
1-(3-amino-4-methylphenyl)-3-(2-methylpropylamino)propan-1-one
CID 98014784
N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one (CID 110176847) is 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one is COC(CNCCC(=O)c1ccc(Cl)c(C)c1)c1ccccc1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one?
The InChIKey is OPQYCBDQHZKAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-12-16(8-9-17(14)20)18(22)10-11-21-13-19(23-2)15-6-4-3-5-7-15/h3-9,12,19,21H,10-11,13H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one?
1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one has a molecular weight of 331.84 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-3-[(2-methoxy-2-phenylethyl)amino]propan-1-one is sourced from PubChem (CID 110176847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).