1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine

C16H25F2NO — CID 63502557

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1c(F)cc(OC)cc1F)C(C)CCC
InChIInChI=1S/C16H25F2NO/c1-5-7-11(3)16(19-8-6-2)15-13(17)9-12(20-4)10-14(15)18/h9-11,16,19H,5-8H2,1-4H3
InChIKeyKGRRHWJKNLDKCD-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.45
Rot. Bonds8

About 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine

1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 63502557) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID63502557
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1c(F)cc(OC)cc1F)C(C)CCC
InChIInChI=1S/C16H25F2NO/c1-5-7-11(3)16(19-8-6-2)15-13(17)9-12(20-4)10-14(15)18/h9-11,16,19H,5-8H2,1-4H3
InChIKeyKGRRHWJKNLDKCD-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 54880458
2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43495812
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 54880491
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105044507

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine (CID 63502557) is 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1c(F)cc(OC)cc1F)C(C)CCC.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is KGRRHWJKNLDKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-7-11(3)16(19-8-6-2)15-13(17)9-12(20-4)10-14(15)18/h9-11,16,19H,5-8H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.45, 8 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)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 63502557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).