2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine

C14H16FN3 — CID 115124006

IUPAC2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
SMILESCN(CCc1cccnc1)c1ccc(N)c(F)c1
InChIInChI=1S/C14H16FN3/c1-18(8-6-11-3-2-7-17-10-11)12-4-5-14(16)13(15)9-12/h2-5,7,9-10H,6,8,16H2,1H3
InChIKeyMWWYAWOFEQETOR-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.48
Rot. Bonds4

About 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine

2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine (PubChem CID 115124006) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
PubChem CID115124006
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
SMILESCN(CCc1cccnc1)c1ccc(N)c(F)c1
InChIInChI=1S/C14H16FN3/c1-18(8-6-11-3-2-7-17-10-11)12-4-5-14(16)13(15)9-12/h2-5,7,9-10H,6,8,16H2,1H3
InChIKeyMWWYAWOFEQETOR-UHFFFAOYSA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-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

2-N,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
CID 115126452
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 106532278
4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66099878
2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
CID 63598649
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
methyl(2-pyridin-3-ylethyl)cyanamide
CID 117043571
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine (CID 115124006) is 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine is CN(CCc1cccnc1)c1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine?
The InChIKey is MWWYAWOFEQETOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18(8-6-11-3-2-7-17-10-11)12-4-5-14(16)13(15)9-12/h2-5,7,9-10H,6,8,16H2,1H3.
What are the key properties of 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine?
2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine has a molecular weight of 245.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 115124006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).