2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine

C12H17F2NO — CID 116838627

IUPAC2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
SMILESCOc1c(C)c(C)cc(C)c1C(F)(F)CN
InChIInChI=1S/C12H17F2NO/c1-7-5-8(2)10(12(13,14)6-15)11(16-4)9(7)3/h5H,6,15H2,1-4H3
InChIKeyRMSJWVNLOWKRHC-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.67
Rot. Bonds3

About 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine

2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine (PubChem CID 116838627) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
PubChem CID116838627
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
SMILESCOc1c(C)c(C)cc(C)c1C(F)(F)CN
InChIInChI=1S/C12H17F2NO/c1-7-5-8(2)10(12(13,14)6-15)11(16-4)9(7)3/h5H,6,15H2,1-4H3
InChIKeyRMSJWVNLOWKRHC-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene
CID 116841497
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
2-[[2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131588
2-(2,6-dimethylphenyl)-2,2-difluoroethanamine
CID 91927221
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
3-(1,1-difluoropropyl)-1,2,4,5-tetramethylbenzene
CID 116841250
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138093
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
CID 82286744

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine (CID 116838627) is 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine is COc1c(C)c(C)cc(C)c1C(F)(F)CN.
What is the InChIKey of 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine?
The InChIKey is RMSJWVNLOWKRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-7-5-8(2)10(12(13,14)6-15)11(16-4)9(7)3/h5H,6,15H2,1-4H3.
What are the key properties of 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine?
2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 116838627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).