1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine

C13H19F2NO — CID 54880583

IUPAC1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
SMILESCCCCCC(N)c1c(F)cc(OC)cc1F
InChIInChI=1S/C13H19F2NO/c1-3-4-5-6-12(16)13-10(14)7-9(17-2)8-11(13)15/h7-8,12H,3-6,16H2,1-2H3
InChIKeyMBZYXULOSQXZIP-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.55
Rot. Bonds6

About 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine

1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine (PubChem CID 54880583) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
PubChem CID54880583
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
SMILESCCCCCC(N)c1c(F)cc(OC)cc1F
InChIInChI=1S/C13H19F2NO/c1-3-4-5-6-12(16)13-10(14)7-9(17-2)8-11(13)15/h7-8,12H,3-6,16H2,1-2H3
InChIKeyMBZYXULOSQXZIP-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
2-(1-bromoheptyl)-1,3-difluoro-5-methoxybenzene
CID 114753540
methyl 6-amino-6-(2,6-difluoro-4-methoxyphenyl)hexanoate
CID 60964960
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
1-(3,5-dimethoxyphenyl)decan-1-amine
CID 115831732
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine (CID 54880583) is 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine is CCCCCC(N)c1c(F)cc(OC)cc1F.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine?
The InChIKey is MBZYXULOSQXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-4-5-6-12(16)13-10(14)7-9(17-2)8-11(13)15/h7-8,12H,3-6,16H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine?
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine is sourced from PubChem (CID 54880583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).