2-(3,5-difluorophenyl)hexan-3-amine

C12H17F2N — CID 83048523

IUPAC2-(3,5-difluorophenyl)hexan-3-amine
SMILESCCCC(N)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-4-12(15)8(2)9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyQNFPGLLDPYLPHV-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.20
Rot. Bonds4

About 2-(3,5-difluorophenyl)hexan-3-amine

2-(3,5-difluorophenyl)hexan-3-amine (PubChem CID 83048523) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)hexan-3-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)hexan-3-amine
PubChem CID83048523
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-(3,5-difluorophenyl)hexan-3-amine
SMILESCCCC(N)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-4-12(15)8(2)9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyQNFPGLLDPYLPHV-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,5-difluorophenyl)hexan-3-amine 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-(3,5-difluorophenyl)hexan-1-amine
CID 62605213
2-(3,4-dimethylphenyl)hexan-3-amine
CID 83047483
3-fluoro-5-pentan-2-ylaniline
CID 135267020
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
CID 83048255
2-(4-bromo-2-fluorophenyl)hexan-3-amine
CID 83048380
1-(4-fluorophenyl)-1-phenylpentan-2-amine
CID 83047108
3-(4-fluorophenyl)heptan-4-amine
CID 83047471
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
2-(3,5-difluorophenyl)butane-1,3-diamine
CID 57152916
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)hexan-3-amine?
The IUPAC name of 2-(3,5-difluorophenyl)hexan-3-amine (CID 83048523) is 2-(3,5-difluorophenyl)hexan-3-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)hexan-3-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)hexan-3-amine is CCCC(N)C(C)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)hexan-3-amine?
The InChIKey is QNFPGLLDPYLPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-4-12(15)8(2)9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)hexan-3-amine?
2-(3,5-difluorophenyl)hexan-3-amine has a molecular weight of 213.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)hexan-3-amine is sourced from PubChem (CID 83048523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).