2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine

C17H20ClN — CID 79442808

IUPAC2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(C)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-13-5-3-6-14(9-13)10-16(12-19-2)15-7-4-8-17(18)11-15/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeyZBGAWBRPHBUZIK-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.19
Rot. Bonds5

About 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine

2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 79442808) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
PubChem CID79442808
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(C)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-13-5-3-6-14(9-13)10-16(12-19-2)15-7-4-8-17(18)11-15/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeyZBGAWBRPHBUZIK-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 65430220
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine (CID 79442808) is 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine is CNCC(Cc1cccc(C)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is ZBGAWBRPHBUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-5-3-6-14(9-13)10-16(12-19-2)15-7-4-8-17(18)11-15/h3-9,11,16,19H,10,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79442808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).