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

C17H20ClN — CID 43081616

IUPAC1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN/c1-3-17(15-8-10-16(18)11-9-15)19-12-14-6-4-13(2)5-7-14/h4-11,17,19H,3,12H2,1-2H3
InChIKeyAJXMGVOBMNOOHS-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.89
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine (PubChem CID 43081616) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
PubChem CID43081616
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN/c1-3-17(15-8-10-16(18)11-9-15)19-12-14-6-4-13(2)5-7-14/h4-11,17,19H,3,12H2,1-2H3
InChIKeyAJXMGVOBMNOOHS-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353
1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine
CID 63000908
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 43221263
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 60657857
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
3-chloro-2-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 78959937
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine (CID 43081616) is 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine is CCC(NCc1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is AJXMGVOBMNOOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-17(15-8-10-16(18)11-9-15)19-12-14-6-4-13(2)5-7-14/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43081616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).