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

C14H21F2NO — CID 116757600

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H21F2NO/c1-6-14(3,18-5)13(17-4)11-10(15)8-7-9(2)12(11)16/h7-8,13,17H,6H2,1-5H3
InChIKeySBXHGDALHNFHBV-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.35
Rot. Bonds5

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

1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 116757600) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID116757600
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H21F2NO/c1-6-14(3,18-5)13(17-4)11-10(15)8-7-9(2)12(11)16/h7-8,13,17H,6H2,1-5H3
InChIKeySBXHGDALHNFHBV-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 116758744
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759031
[1-(2,6-difluoro-3-methylphenyl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245299
1-(2,6-difluoro-3-methylphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028942
2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
CID 116757756
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
1-(2,6-difluoro-3-methylphenyl)-2-ethyl-2-methoxybutan-1-ol
CID 116752695
1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757755
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine
CID 107289412
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 106942725
[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274485

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 116757600) is 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is SBXHGDALHNFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-6-14(3,18-5)13(17-4)11-10(15)8-7-9(2)12(11)16/h7-8,13,17H,6H2,1-5H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.35, 5 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-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116757600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).