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

C17H19Cl2N — CID 107102062

IUPACN-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1cccc(Cl)c1C
InChIInChI=1S/C17H19Cl2N/c1-3-11-20-17(14-7-4-5-9-16(14)19)13-8-6-10-15(18)12(13)2/h4-10,17,20H,3,11H2,1-2H3
InChIKeyOAPAMDJFKYATSU-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.39
Rot. Bonds5

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

N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine (PubChem CID 107102062) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
PubChem CID107102062
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1cccc(Cl)c1C
InChIInChI=1S/C17H19Cl2N/c1-3-11-20-17(14-7-4-5-9-16(14)19)13-8-6-10-15(18)12(13)2/h4-10,17,20H,3,11H2,1-2H3
InChIKeyOAPAMDJFKYATSU-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
N-[(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096564
N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115801336
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(3-chloro-2-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107102936
N-[(3-chloro-2-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 107096598
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine (CID 107102062) is N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1cccc(Cl)c1C.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The InChIKey is OAPAMDJFKYATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-11-20-17(14-7-4-5-9-16(14)19)13-8-6-10-15(18)12(13)2/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine?
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 107102062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).