3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine

C17H19Cl2N — CID 63523145

IUPAC3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-20-12-14(10-13-6-8-16(18)9-7-13)11-15-4-2-3-5-17(15)19/h2-9,14,20H,10-12H2,1H3
InChIKeyXXRNYNALGWIELA-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.61
Rot. Bonds6

About 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine

3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 63523145) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
PubChem CID63523145
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-20-12-14(10-13-6-8-16(18)9-7-13)11-15-4-2-3-5-17(15)19/h2-9,14,20H,10-12H2,1H3
InChIKeyXXRNYNALGWIELA-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63523561
2-[(2-chloro-3-fluorophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 115984189
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65318235
2-[(4-chlorophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516086
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 63521754
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63522603
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62514397
2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
CID 62529664
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine (CID 63523145) is 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)cc1)Cc1ccccc1Cl.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is XXRNYNALGWIELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-20-12-14(10-13-6-8-16(18)9-7-13)11-15-4-2-3-5-17(15)19/h2-9,14,20H,10-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine?
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63523145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).