1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine

C8H8Cl2FN — CID 115263054

IUPAC1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
SMILESFc1ccc(Cl)cc1CNCCl
InChIInChI=1S/C8H8Cl2FN/c9-5-12-4-6-3-7(10)1-2-8(6)11/h1-3,12H,4-5H2
InChIKeyVVPAIMZARBGPEH-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.77
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine

1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine (PubChem CID 115263054) has the molecular formula C8H8Cl2FN and a molecular weight of 208.06 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
PubChem CID115263054
Molecular FormulaC8H8Cl2FN
Molecular Weight208.06 g/mol
Exact Mass207.00
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
SMILESFc1ccc(Cl)cc1CNCCl
InChIInChI=1S/C8H8Cl2FN/c9-5-12-4-6-3-7(10)1-2-8(6)11/h1-3,12H,4-5H2
InChIKeyVVPAIMZARBGPEH-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine 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-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 114842312
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine
CID 177195909
1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589055
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine
CID 115245810
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115762453
N-[(5-chloro-2-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 115762111
N-[(5-chloro-2-fluorophenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923290
N'-[(5-chloro-2-fluorophenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204907

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine (CID 115263054) is 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine is Fc1ccc(Cl)cc1CNCCl.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine?
The InChIKey is VVPAIMZARBGPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FN/c9-5-12-4-6-3-7(10)1-2-8(6)11/h1-3,12H,4-5H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine?
1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine has a molecular weight of 208.06 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine is sourced from PubChem (CID 115263054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).