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

C17H20ClN — CID 60819696

IUPACN-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1ccccc1C
InChIInChI=1S/C17H20ClN/c1-3-11-19-17(14-8-6-9-15(18)12-14)16-10-5-4-7-13(16)2/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyWRTUZBKUXZUADA-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.74
Rot. Bonds5

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

N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 60819696) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID60819696
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1ccccc1C
InChIInChI=1S/C17H20ClN/c1-3-11-19-17(14-8-6-9-15(18)12-14)16-10-5-4-7-13(16)2/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyWRTUZBKUXZUADA-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(3-iodophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794712
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(3-chlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]propan-1-amine
CID 105106643
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(3-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115811211
N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107945231

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine (CID 60819696) is N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1ccccc1C.
What is the InChIKey of N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is WRTUZBKUXZUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-11-19-17(14-8-6-9-15(18)12-14)16-10-5-4-7-13(16)2/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 60819696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).