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

C13H19ClFN — CID 112654544

IUPAC6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCc1cccc(F)c1Cl
InChIInChI=1S/C13H19ClFN/c1-9(2)12(16)8-4-6-10-5-3-7-11(15)13(10)14/h3,5,7,9,12H,4,6,8,16H2,1-2H3
InChIKeyUAGHJAQMAAYSES-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.79
Rot. Bonds5

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

6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine (PubChem CID 112654544) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine
PubChem CID112654544
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCc1cccc(F)c1Cl
InChIInChI=1S/C13H19ClFN/c1-9(2)12(16)8-4-6-10-5-3-7-11(15)13(10)14/h3,5,7,9,12H,4,6,8,16H2,1-2H3
InChIKeyUAGHJAQMAAYSES-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
1-(2,3-difluorophenyl)-4-methylpentan-3-amine
CID 43659052
6-(2-chloro-4-fluorophenyl)-2-methylhexan-3-amine
CID 64505816
6-(2-chloro-5-fluorophenyl)-2-methylhexan-3-amine
CID 102620442
2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
2-chloro-1-(3-chloro-4,4-dimethylpentyl)-3-fluorobenzene
CID 112654030
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
1-(4-chloropentyl)-2,3-difluorobenzene
CID 64516100
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine (CID 112654544) is 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine is CC(C)C(N)CCCc1cccc(F)c1Cl.
What is the InChIKey of 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine?
The InChIKey is UAGHJAQMAAYSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-9(2)12(16)8-4-6-10-5-3-7-11(15)13(10)14/h3,5,7,9,12H,4,6,8,16H2,1-2H3.
What are the key properties of 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine?
6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine has a molecular weight of 243.75 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 112654544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).