3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine

C16H19FN2 — CID 117041162

IUPAC3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)CCc2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN2/c1-18-15-4-3-5-16(12-15)19(2)11-10-13-6-8-14(17)9-7-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyIBQPXTZQKHRORI-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.55
Rot. Bonds5

About 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine

3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 117041162) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID117041162
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)CCc2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN2/c1-18-15-4-3-5-16(12-15)19(2)11-10-13-6-8-14(17)9-7-13/h3-9,12,18H,10-11H2,1-2H3
InChIKeyIBQPXTZQKHRORI-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-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

1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155
3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212239
3-[[2-(4-bromophenyl)ethyl-methylamino]methyl]-N-methylaniline
CID 115212306
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-6-amine
CID 70271310
1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 117028923
4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
CID 125499661
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
3-[2-(dimethylamino)ethyl]-N-(4-fluorophenyl)aniline
CID 54480376
1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041484
3-fluoro-N-methylaniline
CID 2759011
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine (CID 117041162) is 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine is CNc1cccc(N(C)CCc2ccc(F)cc2)c1.
What is the InChIKey of 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is IBQPXTZQKHRORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-18-15-4-3-5-16(12-15)19(2)11-10-13-6-8-14(17)9-7-13/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine?
3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 117041162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).