4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine

C14H14ClFN2 — CID 43577989

IUPAC4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
SMILESCN(Cc1ccccc1F)c1ccc(Cl)cc1N
InChIInChI=1S/C14H14ClFN2/c1-18(9-10-4-2-3-5-12(10)16)14-7-6-11(15)8-13(14)17/h2-8H,9,17H2,1H3
InChIKeyDMJLXNPHTVFIBS-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine

4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine (PubChem CID 43577989) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
PubChem CID43577989
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
SMILESCN(Cc1ccccc1F)c1ccc(Cl)cc1N
InChIInChI=1S/C14H14ClFN2/c1-18(9-10-4-2-3-5-12(10)16)14-7-6-11(15)8-13(14)17/h2-8H,9,17H2,1H3
InChIKeyDMJLXNPHTVFIBS-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine 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

4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466083
3-amino-4-[(5-chloro-2-fluorophenyl)methyl-methylamino]benzoic acid
CID 103046894
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66094772
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
2-[(2-aminophenyl)methyl-methylamino]-5-chlorobenzamide
CID 62494381
1-[3-chloro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 62909660
4-chloro-1-N-[2-(dimethylamino)ethyl]-1-N-methylbenzene-1,2-diamine
CID 63695139
5-chloro-2-[(N-methylanilino)methyl]aniline
CID 62100206
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine (CID 43577989) is 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine is CN(Cc1ccccc1F)c1ccc(Cl)cc1N.
What is the InChIKey of 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
The InChIKey is DMJLXNPHTVFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18(9-10-4-2-3-5-12(10)16)14-7-6-11(15)8-13(14)17/h2-8H,9,17H2,1H3.
What are the key properties of 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine?
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine has a molecular weight of 264.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 43577989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).