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

C17H18Cl3N — CID 106861045

IUPACN-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl3N/c1-3-8-21-17(13-6-4-11(2)9-15(13)19)14-7-5-12(18)10-16(14)20/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyUBNBLKQVNYTIMF-UHFFFAOYSA-N
MW342.70 g/mol
LogP6.04
Rot. Bonds5

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

N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine (PubChem CID 106861045) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
PubChem CID106861045
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC NameN-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl3N/c1-3-8-21-17(13-6-4-11(2)9-15(13)19)14-7-5-12(18)10-16(14)20/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyUBNBLKQVNYTIMF-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 63502964
N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 106857172
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153469
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 82874215
N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105010601

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine (CID 106861045) is N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is UBNBLKQVNYTIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N/c1-3-8-21-17(13-6-4-11(2)9-15(13)19)14-7-5-12(18)10-16(14)20/h4-7,9-10,17,21H,3,8H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine?
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 342.70 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 106861045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).