1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine

C16H16F3NO — CID 61065406

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-20-15(9-11-4-2-6-13(17)8-11)12-5-3-7-14(10-12)21-16(18)19/h2-8,10,15-16,20H,9H2,1H3
InChIKeyAAHCCKLTHZAYAW-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.93
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine

1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 61065406) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID61065406
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-20-15(9-11-4-2-6-13(17)8-11)12-5-3-7-14(10-12)21-16(18)19/h2-8,10,15-16,20H,9H2,1H3
InChIKeyAAHCCKLTHZAYAW-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.93
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]-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064898
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61077463
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine (CID 61065406) is 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is AAHCCKLTHZAYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20-15(9-11-4-2-6-13(17)8-11)12-5-3-7-14(10-12)21-16(18)19/h2-8,10,15-16,20H,9H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine?
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.93, 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]-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61065406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).