2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine

C16H18ClN — CID 79441799

IUPAC2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN/c1-18-12-15(11-13-5-3-2-4-6-13)14-7-9-16(17)10-8-14/h2-10,15,18H,11-12H2,1H3
InChIKeyCRYAZKCMRJSGEA-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine

2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 79441799) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID79441799
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN/c1-18-12-15(11-13-5-3-2-4-6-13)14-7-9-16(17)10-8-14/h2-10,15,18H,11-12H2,1H3
InChIKeyCRYAZKCMRJSGEA-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68735781
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
CID 68735780
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
3-(4-chlorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 71143204
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine (CID 79441799) is 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine is CNCC(Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is CRYAZKCMRJSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-18-12-15(11-13-5-3-2-4-6-13)14-7-9-16(17)10-8-14/h2-10,15,18H,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine?
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 259.78 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 79441799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).