3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine

C11H14Cl3N — CID 115215774

IUPAC3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCN(CCCCl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N/c1-15(6-2-5-12)8-9-3-4-10(13)7-11(9)14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyCBENFNUBVRKYKK-UHFFFAOYSA-N
MW266.60 g/mol
LogP4.05
Rot. Bonds5

About 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine

3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 115215774) has the molecular formula C11H14Cl3N and a molecular weight of 266.60 g/mol. Its IUPAC name is 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
PubChem CID115215774
Molecular FormulaC11H14Cl3N
Molecular Weight266.60 g/mol
Exact Mass265.02
IUPAC Name3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCN(CCCCl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N/c1-15(6-2-5-12)8-9-3-4-10(13)7-11(9)14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyCBENFNUBVRKYKK-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.60
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107205019
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine (CID 115215774) is 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine is CN(CCCCl)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is CBENFNUBVRKYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N/c1-15(6-2-5-12)8-9-3-4-10(13)7-11(9)14/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine?
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 266.60 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115215774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).