1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine

C12H18F2N2 — CID 116949581

IUPAC1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1ccc(F)c(F)c1)C(C)CCN
InChIInChI=1S/C12H18F2N2/c1-8(5-6-15)12(16-2)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3
InChIKeyWQPCVVSGLGBCIZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.21
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine

1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine (PubChem CID 116949581) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine
PubChem CID116949581
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1ccc(F)c(F)c1)C(C)CCN
InChIInChI=1S/C12H18F2N2/c1-8(5-6-15)12(16-2)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3
InChIKeyWQPCVVSGLGBCIZ-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-N,2-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

1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
CID 116948387
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960347
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 79446498
1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949624
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105145538
[1-(3,4-difluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105197132
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine (CID 116949581) is 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine is CNC(c1ccc(F)c(F)c1)C(C)CCN.
What is the InChIKey of 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine?
The InChIKey is WQPCVVSGLGBCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-8(5-6-15)12(16-2)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine?
1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).