2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine

C15H15ClFN — CID 112653601

IUPAC2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1ccccc1
InChIInChI=1S/C15H15ClFN/c1-18-14(11-6-3-2-4-7-11)10-12-8-5-9-13(17)15(12)16/h2-9,14,18H,10H2,1H3
InChIKeyZVDVADUUMVGDEG-UHFFFAOYSA-N
MW263.74 g/mol
LogP3.98
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine

2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine (PubChem CID 112653601) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
PubChem CID112653601
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1ccccc1
InChIInChI=1S/C15H15ClFN/c1-18-14(11-6-3-2-4-7-11)10-12-8-5-9-13(17)15(12)16/h2-9,14,18H,10H2,1H3
InChIKeyZVDVADUUMVGDEG-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845341
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 112653682
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032572
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 107985356

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine (CID 112653601) is 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine is CNC(Cc1cccc(F)c1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine?
The InChIKey is ZVDVADUUMVGDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-18-14(11-6-3-2-4-7-11)10-12-8-5-9-13(17)15(12)16/h2-9,14,18H,10H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine?
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine has a molecular weight of 263.74 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 112653601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).