1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine

C17H19F2NO — CID 61064898

IUPAC1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H19F2NO/c1-12-6-8-13(9-7-12)10-16(20-2)14-4-3-5-15(11-14)21-17(18)19/h3-9,11,16-17,20H,10H2,1-2H3
InChIKeyHKOBLOBIEVPSLJ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.10
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine

1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 61064898) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID61064898
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H19F2NO/c1-12-6-8-13(9-7-12)10-16(20-2)14-4-3-5-15(11-14)21-17(18)19/h3-9,11,16-17,20H,10H2,1-2H3
InChIKeyHKOBLOBIEVPSLJ-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61077463
2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 63527212
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-(3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065954
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine (CID 61064898) is 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is HKOBLOBIEVPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12-6-8-13(9-7-12)10-16(20-2)14-4-3-5-15(11-14)21-17(18)19/h3-9,11,16-17,20H,10H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine?
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 61064898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).