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

C10H12Cl2FN — CID 112654379

IUPAC1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
SMILESCC(CCl)NCc1cccc(F)c1Cl
InChIInChI=1S/C10H12Cl2FN/c1-7(5-11)14-6-8-3-2-4-9(13)10(8)12/h2-4,7,14H,5-6H2,1H3
InChIKeyVDRHXPYHFSRXBF-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.20
Rot. Bonds4

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

1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine (PubChem CID 112654379) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
PubChem CID112654379
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
SMILESCC(CCl)NCc1cccc(F)c1Cl
InChIInChI=1S/C10H12Cl2FN/c1-7(5-11)14-6-8-3-2-4-9(13)10(8)12/h2-4,7,14H,5-6H2,1H3
InChIKeyVDRHXPYHFSRXBF-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[(2-chloro-3-fluorophenyl)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

3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol
CID 112652236
N-[(2-chloro-3-fluorophenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 114130585
N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 115982845
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112651923
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
N-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 112550327
N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine
CID 65025739
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
CID 112652223
N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 112652002

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine (CID 112654379) is 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine is CC(CCl)NCc1cccc(F)c1Cl.
What is the InChIKey of 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine?
The InChIKey is VDRHXPYHFSRXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN/c1-7(5-11)14-6-8-3-2-4-9(13)10(8)12/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine?
1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine has a molecular weight of 236.12 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 112654379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).