2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine

C17H20ClN — CID 62530370

IUPAC2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN/c1-13-3-2-4-15(9-13)11-16(12-19)10-14-5-7-17(18)8-6-14/h2-9,16H,10-12,19H2,1H3
InChIKeyXSMBSKARUZNUPG-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.01
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine

2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (PubChem CID 62530370) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
PubChem CID62530370
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN/c1-13-3-2-4-15(9-13)11-16(12-19)10-14-5-7-17(18)8-6-14/h2-9,16H,10-12,19H2,1H3
InChIKeyXSMBSKARUZNUPG-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(4-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63498649
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63497236
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine (CID 62530370) is 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CC(CN)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
The InChIKey is XSMBSKARUZNUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-3-2-4-15(9-13)11-16(12-19)10-14-5-7-17(18)8-6-14/h2-9,16H,10-12,19H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine?
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 62530370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).