1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine

C17H19Cl2N — CID 43503353

IUPAC1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N/c1-3-17(15-9-8-14(18)10-16(15)19)20-11-13-6-4-12(2)5-7-13/h4-10,17,20H,3,11H2,1-2H3
InChIKeyLIBXVLYKVPBEIM-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.54
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine

1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine (PubChem CID 43503353) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
PubChem CID43503353
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N/c1-3-17(15-9-8-14(18)10-16(15)19)20-11-13-6-4-12(2)5-7-13/h4-10,17,20H,3,11H2,1-2H3
InChIKeyLIBXVLYKVPBEIM-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 62996327
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279983
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine (CID 43503353) is 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine is CCC(NCc1ccc(C)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is LIBXVLYKVPBEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-17(15-9-8-14(18)10-16(15)19)20-11-13-6-4-12(2)5-7-13/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43503353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).