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

C13H19ClFN — CID 102862081

IUPAC6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine
SMILESCCC(CCCc1cccc(Cl)c1F)NC
InChIInChI=1S/C13H19ClFN/c1-3-11(16-2)8-4-6-10-7-5-9-12(14)13(10)15/h5,7,9,11,16H,3-4,6,8H2,1-2H3
InChIKeyMFTRDWNDXKXCGH-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.80
Rot. Bonds6

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

6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine (PubChem CID 102862081) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine
PubChem CID102862081
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine
SMILESCCC(CCCc1cccc(Cl)c1F)NC
InChIInChI=1S/C13H19ClFN/c1-3-11(16-2)8-4-6-10-7-5-9-12(14)13(10)15/h5,7,9,11,16H,3-4,6,8H2,1-2H3
InChIKeyMFTRDWNDXKXCGH-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-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 114860039
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
4-(3-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114489002
1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
CID 102862230
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine (CID 102862081) is 6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine is CCC(CCCc1cccc(Cl)c1F)NC.
What is the InChIKey of 6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine?
The InChIKey is MFTRDWNDXKXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-3-11(16-2)8-4-6-10-7-5-9-12(14)13(10)15/h5,7,9,11,16H,3-4,6,8H2,1-2H3.
What are the key properties of 6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine?
6-(3-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-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine is sourced from PubChem (CID 102862081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).