1-(3,5-difluorophenyl)hexan-1-amine

C12H17F2N — CID 62605213

IUPAC1-(3,5-difluorophenyl)hexan-1-amine
SMILESCCCCCC(N)c1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12H,2-5,15H2,1H3
InChIKeyWJOHOBCKTNXYLJ-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.54
Rot. Bonds5

About 1-(3,5-difluorophenyl)hexan-1-amine

1-(3,5-difluorophenyl)hexan-1-amine (PubChem CID 62605213) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)hexan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)hexan-1-amine
PubChem CID62605213
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(3,5-difluorophenyl)hexan-1-amine
SMILESCCCCCC(N)c1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12H,2-5,15H2,1H3
InChIKeyWJOHOBCKTNXYLJ-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,5-difluorophenyl)hexan-1-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-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
CID 171224073
(1R)-1-(3,4,5-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205823
1-(3,4,5-trifluorophenyl)nonan-1-amine
CID 63417456
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
1-(3,5-difluorophenyl)hexylhydrazine
CID 105207948
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)hexan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)hexan-1-amine (CID 62605213) is 1-(3,5-difluorophenyl)hexan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)hexan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)hexan-1-amine is CCCCCC(N)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)hexan-1-amine?
The InChIKey is WJOHOBCKTNXYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-2-3-4-5-12(15)9-6-10(13)8-11(14)7-9/h6-8,12H,2-5,15H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)hexan-1-amine?
1-(3,5-difluorophenyl)hexan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)hexan-1-amine is sourced from PubChem (CID 62605213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).