2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine

C16H16ClF2NO — CID 61065024

IUPAC2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16ClF2NO/c1-20-15(9-11-5-7-13(17)8-6-11)12-3-2-4-14(10-12)21-16(18)19/h2-8,10,15-16,20H,9H2,1H3
InChIKeyXDDDMRNMXLEZTN-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.44
Rot. Bonds6

About 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine

2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine (PubChem CID 61065024) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
PubChem CID61065024
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H16ClF2NO/c1-20-15(9-11-5-7-13(17)8-6-11)12-3-2-4-14(10-12)21-16(18)19/h2-8,10,15-16,20H,9H2,1H3
InChIKeyXDDDMRNMXLEZTN-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

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-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61077463
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785
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-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63411987
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 82916536

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine (CID 61065024) is 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine?
The InChIKey is XDDDMRNMXLEZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-20-15(9-11-5-7-13(17)8-6-11)12-3-2-4-14(10-12)21-16(18)19/h2-8,10,15-16,20H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine?
2-(4-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-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 61065024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).