1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine

C15H23F2NO — CID 116758744

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H23F2NO/c1-6-15(4,19-7-2)14(18-5)12-11(16)9-8-10(3)13(12)17/h8-9,14,18H,6-7H2,1-5H3
InChIKeyGWJMVVVBHJWMHK-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.74
Rot. Bonds6

About 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine

1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine (PubChem CID 116758744) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
PubChem CID116758744
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H23F2NO/c1-6-15(4,19-7-2)14(18-5)12-11(16)9-8-10(3)13(12)17/h8-9,14,18H,6-7H2,1-5H3
InChIKeyGWJMVVVBHJWMHK-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759031
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752405
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine
CID 116758863
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
CID 116758813
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114731348
1-(2,6-difluoro-3-methylphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028942
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
[1-(2,6-difluoro-3-methylphenyl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245299

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine (CID 116758744) is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine is CCOC(C)(CC)C(NC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine?
The InChIKey is GWJMVVVBHJWMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-6-15(4,19-7-2)14(18-5)12-11(16)9-8-10(3)13(12)17/h8-9,14,18H,6-7H2,1-5H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.74, 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-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116758744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).