1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine

C15H14ClF2N — CID 65024863

IUPAC1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine
SMILESFc1cccc(CNCc2cccc(CCl)c2)c1F
InChIInChI=1S/C15H14ClF2N/c16-8-11-3-1-4-12(7-11)9-19-10-13-5-2-6-14(17)15(13)18/h1-7,19H,8-10H2
InChIKeyBAOGAUFJDIDOBD-UHFFFAOYSA-N
MW281.73 g/mol
LogP3.99
Rot. Bonds5

About 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine

1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine (PubChem CID 65024863) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine
PubChem CID65024863
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine
SMILESFc1cccc(CNCc2cccc(CCl)c2)c1F
InChIInChI=1S/C15H14ClF2N/c16-8-11-3-1-4-12(7-11)9-19-10-13-5-2-6-14(17)15(13)18/h1-7,19H,8-10H2
InChIKeyBAOGAUFJDIDOBD-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]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-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310005
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
N-[(2,3-difluorophenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60874828
N-[[3-(chloromethyl)phenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 65025247
N-[(3-chloro-2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115656673
1-[3-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 79232514
N-[(2-fluorophenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107414
1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 65024708
N-[[3-(chloromethyl)phenyl]methyl]prop-2-en-1-amine
CID 65024541

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine (CID 65024863) is 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine is Fc1cccc(CNCc2cccc(CCl)c2)c1F.
What is the InChIKey of 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine?
The InChIKey is BAOGAUFJDIDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-8-11-3-1-4-12(7-11)9-19-10-13-5-2-6-14(17)15(13)18/h1-7,19H,8-10H2.
What are the key properties of 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine?
1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine has a molecular weight of 281.73 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 65024863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).