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

C10H13Cl2N — CID 65025963

IUPAC1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
SMILESCC(CCl)NCc1cccc(Cl)c1
InChIInChI=1S/C10H13Cl2N/c1-8(6-11)13-7-9-3-2-4-10(12)5-9/h2-5,8,13H,6-7H2,1H3
InChIKeyUMLQVDPHZFZYPR-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.06
Rot. Bonds4

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

1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine (PubChem CID 65025963) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
PubChem CID65025963
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
SMILESCC(CCl)NCc1cccc(Cl)c1
InChIInChI=1S/C10H13Cl2N/c1-8(6-11)13-7-9-3-2-4-10(12)5-9/h2-5,8,13H,6-7H2,1H3
InChIKeyUMLQVDPHZFZYPR-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
N-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 65025454
1-chloro-N-[(3-chlorophenyl)methyl]-4-methylpentan-3-amine
CID 106353845
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
N-[(3-chlorophenyl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592336
1-chloro-N-[(3-chlorophenyl)methyl]-3-phenylpropan-2-amine
CID 65025931
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine (CID 65025963) is 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine is CC(CCl)NCc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine?
The InChIKey is UMLQVDPHZFZYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-8(6-11)13-7-9-3-2-4-10(12)5-9/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine?
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine has a molecular weight of 218.13 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 65025963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).