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

C14H21F2NO — CID 116720133

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1c(F)ccc(C)c1F)C(OC)C(C)C
InChIInChI=1S/C14H21F2NO/c1-8(2)14(18-5)13(17-4)11-10(15)7-6-9(3)12(11)16/h6-8,13-14,17H,1-5H3
InChIKeyQKFLOEBHIKEOHD-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.20
Rot. Bonds5

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

1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 116720133) 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,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
PubChem CID116720133
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1c(F)ccc(C)c1F)C(OC)C(C)C
InChIInChI=1S/C14H21F2NO/c1-8(2)14(18-5)13(17-4)11-10(15)7-6-9(3)12(11)16/h6-8,13-14,17H,1-5H3
InChIKeyQKFLOEBHIKEOHD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine
CID 105270622
1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82797199
1-(2,6-difluoro-3-methylphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028942
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
methyl 2-(2-chloro-6-fluoro-3-methylphenyl)propanoate
CID 175668376
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
2-methoxy-N,3-dimethyl-1-(4-phenylphenyl)butan-1-amine
CID 116720033
1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719920
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852895

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine (CID 116720133) is 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine is CNC(c1c(F)ccc(C)c1F)C(OC)C(C)C.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is QKFLOEBHIKEOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-8(2)14(18-5)13(17-4)11-10(15)7-6-9(3)12(11)16/h6-8,13-14,17H,1-5H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.20, 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,3-dimethylbutan-1-amine is sourced from PubChem (CID 116720133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).