2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine

C12H19FN2 — CID 82077975

IUPAC2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCC(CN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-15(2)8-7-11(9-14)10-3-5-12(13)6-4-10/h3-6,11H,7-9,14H2,1-2H3
InChIKeyVLBWWHYIBPUHMZ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine

2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 82077975) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID82077975
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCC(CN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-15(2)8-7-11(9-14)10-3-5-12(13)6-4-10/h3-6,11H,7-9,14H2,1-2H3
InChIKeyVLBWWHYIBPUHMZ-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-N',N'-dimethylbutane-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-(4-fluorophenyl)hexan-1-amine
CID 79442321
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
CID 82077294
2-(4-fluorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79442251
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657342
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
3-(4-fluorophenyl)pentan-1-amine
CID 15014572

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine (CID 82077975) is 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine is CN(C)CCC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is VLBWWHYIBPUHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-15(2)8-7-11(9-14)10-3-5-12(13)6-4-10/h3-6,11H,7-9,14H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine?
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 210.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 82077975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).