4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine

C15H17FN2 — CID 115123846

IUPAC4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N)c(F)c2)cc1C
InChIInChI=1S/C15H17FN2/c1-10-3-4-12(7-11(10)2)9-18-13-5-6-15(17)14(16)8-13/h3-8,18H,9,17H2,1-2H3
InChIKeyJPHSYZNIWPAVTF-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.64
Rot. Bonds3

About 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine

4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine (PubChem CID 115123846) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
PubChem CID115123846
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N)c(F)c2)cc1C
InChIInChI=1S/C15H17FN2/c1-10-3-4-12(7-11(10)2)9-18-13-5-6-15(17)14(16)8-13/h3-8,18H,9,17H2,1-2H3
InChIKeyJPHSYZNIWPAVTF-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-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

N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
5-[(3,4-dimethylphenyl)methylamino]-2-fluorobenzonitrile
CID 55057627
4-N-[(2,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123857
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
4-[(4-amino-3-methylanilino)methyl]phenol
CID 23437192

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine?
The IUPAC name of 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine (CID 115123846) is 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine is Cc1ccc(CNc2ccc(N)c(F)c2)cc1C.
What is the InChIKey of 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine?
The InChIKey is JPHSYZNIWPAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-3-4-12(7-11(10)2)9-18-13-5-6-15(17)14(16)8-13/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine?
4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine has a molecular weight of 244.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 115123846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).