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

C11H15Cl2N — CID 61414656

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCN(CCCCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15Cl2N/c1-14(8-2-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyODIZQAOLIFUVOA-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.40
Rot. Bonds5

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

3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 61414656) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
PubChem CID61414656
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCN(CCCCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15Cl2N/c1-14(8-2-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyODIZQAOLIFUVOA-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpropan-1-amine
CID 115215688
3-chloro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 115215689
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215694
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-N-methylpentan-1-amine
CID 107204995
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine (CID 61414656) is 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine is CN(CCCCl)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is ODIZQAOLIFUVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-14(8-2-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine?
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 61414656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).