6-(2-chloro-6-fluorophenyl)hexan-3-amine

C12H17ClFN — CID 64503216

IUPAC6-(2-chloro-6-fluorophenyl)hexan-3-amine
SMILESCCC(N)CCCc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFN/c1-2-9(15)5-3-6-10-11(13)7-4-8-12(10)14/h4,7-9H,2-3,5-6,15H2,1H3
InChIKeyWXCZCJANIDHQQY-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.54
Rot. Bonds5

About 6-(2-chloro-6-fluorophenyl)hexan-3-amine

6-(2-chloro-6-fluorophenyl)hexan-3-amine (PubChem CID 64503216) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)hexan-3-amine
PubChem CID64503216
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name6-(2-chloro-6-fluorophenyl)hexan-3-amine
SMILESCCC(N)CCCc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFN/c1-2-9(15)5-3-6-10-11(13)7-4-8-12(10)14/h4,7-9H,2-3,5-6,15H2,1H3
InChIKeyWXCZCJANIDHQQY-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 ≤ 500229.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromohexyl)-1-chloro-3-fluorobenzene
CID 64507407
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
1,3-dichloro-2-(4-chlorohexyl)benzene
CID 64506411
4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine
CID 55145226
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
6-(2-chloro-6-fluorophenyl)-2-methylhexan-3-one
CID 64504064
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methylhydrazine
CID 82282557
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)hexan-3-amine?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)hexan-3-amine (CID 64503216) is 6-(2-chloro-6-fluorophenyl)hexan-3-amine.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)hexan-3-amine?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)hexan-3-amine is CCC(N)CCCc1c(F)cccc1Cl.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)hexan-3-amine?
The InChIKey is WXCZCJANIDHQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-2-9(15)5-3-6-10-11(13)7-4-8-12(10)14/h4,7-9H,2-3,5-6,15H2,1H3.
What are the key properties of 6-(2-chloro-6-fluorophenyl)hexan-3-amine?
6-(2-chloro-6-fluorophenyl)hexan-3-amine has a molecular weight of 229.73 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 6-(2-chloro-6-fluorophenyl)hexan-3-amine is sourced from PubChem (CID 64503216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).