6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine

C13H19ClFN — CID 114860039

IUPAC6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
SMILESCCC(CCCc1ccc(Cl)cc1F)NC
InChIInChI=1S/C13H19ClFN/c1-3-12(16-2)6-4-5-10-7-8-11(14)9-13(10)15/h7-9,12,16H,3-6H2,1-2H3
InChIKeyOXSJFALIKXHWHM-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.80
Rot. Bonds6

About 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine

6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine (PubChem CID 114860039) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
PubChem CID114860039
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
SMILESCCC(CCCc1ccc(Cl)cc1F)NC
InChIInChI=1S/C13H19ClFN/c1-3-12(16-2)6-4-5-10-7-8-11(14)9-13(10)15/h7-9,12,16H,3-6H2,1-2H3
InChIKeyOXSJFALIKXHWHM-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-methylheptan-4-amine
CID 114860033
6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 102862081
1-(4-bromo-5-methylhexyl)-4-chloro-2-fluorobenzene
CID 114860163
N-[(4-chloro-2-fluorophenyl)methyl]hexan-3-amine
CID 114842256
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
CID 105395903
6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
CID 114166902
1-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1-(4-bromo-4-phenylbutyl)-4-chloro-2-fluorobenzene
CID 114860167

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine?
The IUPAC name of 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine (CID 114860039) is 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine.
What is the SMILES notation for 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine?
The canonical SMILES for 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine is CCC(CCCc1ccc(Cl)cc1F)NC.
What is the InChIKey of 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine?
The InChIKey is OXSJFALIKXHWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-3-12(16-2)6-4-5-10-7-8-11(14)9-13(10)15/h7-9,12,16H,3-6H2,1-2H3.
What are the key properties of 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine?
6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine has a molecular weight of 243.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine is sourced from PubChem (CID 114860039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).