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

C16H16ClF2NO — CID 61077463

IUPAC2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16ClF2NO/c1-20-15(10-11-5-2-3-8-14(11)17)12-6-4-7-13(9-12)21-16(18)19/h2-9,15-16,20H,10H2,1H3
InChIKeyUIIRFHAIHKYQCD-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.44
Rot. Bonds6

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

2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine (PubChem CID 61077463) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
PubChem CID61077463
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16ClF2NO/c1-20-15(10-11-5-2-3-8-14(11)17)12-6-4-7-13(9-12)21-16(18)19/h2-9,15-16,20H,10H2,1H3
InChIKeyUIIRFHAIHKYQCD-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.44
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-methylpropan-1-amine
CID 114979665
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064898
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 107312488
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
CID 105008492
1-[3-(difluoromethoxy)phenyl]-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848460
1-[3-(difluoromethoxy)phenyl]-N,4-dimethylpent-4-en-1-amine
CID 105039557

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine (CID 61077463) is 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine is CNC(Cc1ccccc1Cl)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine?
The InChIKey is UIIRFHAIHKYQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-20-15(10-11-5-2-3-8-14(11)17)12-6-4-7-13(9-12)21-16(18)19/h2-9,15-16,20H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine?
2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 61077463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).