1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine

C14H21F2NO — CID 54880491

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1c(F)cc(OC)cc1F
InChIInChI=1S/C14H21F2NO/c1-5-9(6-2)14(17-3)13-11(15)7-10(18-4)8-12(13)16/h7-9,14,17H,5-6H2,1-4H3
InChIKeyIFVNTKYXZKSYBF-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.67
Rot. Bonds6

About 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine

1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 54880491) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID54880491
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1c(F)cc(OC)cc1F
InChIInChI=1S/C14H21F2NO/c1-5-9(6-2)14(17-3)13-11(15)7-10(18-4)8-12(13)16/h7-9,14,17H,5-6H2,1-4H3
InChIKeyIFVNTKYXZKSYBF-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)butan-1-amine
CID 105013713
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 54880458
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302248
2-(1-chloro-2-methylbutyl)-1,3-difluoro-5-methoxybenzene
CID 63427268
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 63502557
2-cyclopropyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylethanamine
CID 55031798
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133
1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 54880479
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
2-ethoxy-1-(2-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 103395874

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine (CID 54880491) is 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)c1c(F)cc(OC)cc1F.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is IFVNTKYXZKSYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-5-9(6-2)14(17-3)13-11(15)7-10(18-4)8-12(13)16/h7-9,14,17H,5-6H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine?
1-(2,6-difluoro-4-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.67, 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)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 54880491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).