2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine

C11H15F2NO — CID 80605627

IUPAC2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
SMILESCNC(c1ccc(OC)c(C)c1)C(F)F
InChIInChI=1S/C11H15F2NO/c1-7-6-8(4-5-9(7)15-3)10(14-2)11(12)13/h4-6,10-11,14H,1-3H3
InChIKeyBSDSCVOZFZFONA-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.53
Rot. Bonds4

About 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine

2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine (PubChem CID 80605627) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
PubChem CID80605627
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
SMILESCNC(c1ccc(OC)c(C)c1)C(F)F
InChIInChI=1S/C11H15F2NO/c1-7-6-8(4-5-9(7)15-3)10(14-2)11(12)13/h4-6,10-11,14H,1-3H3
InChIKeyBSDSCVOZFZFONA-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476681
4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine (CID 80605627) is 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine is CNC(c1ccc(OC)c(C)c1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The InChIKey is BSDSCVOZFZFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7-6-8(4-5-9(7)15-3)10(14-2)11(12)13/h4-6,10-11,14H,1-3H3.
What are the key properties of 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine?
2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 80605627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).