2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine

C16H16ClF2N — CID 114855348

IUPAC2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1ccc(F)c(C)c1
InChIInChI=1S/C16H16ClF2N/c1-10-7-12(4-6-14(10)18)16(20-2)8-11-3-5-13(17)9-15(11)19/h3-7,9,16,20H,8H2,1-2H3
InChIKeyQYTRPQDWKDVBLG-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine

2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (PubChem CID 114855348) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
PubChem CID114855348
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1ccc(F)c(C)c1
InChIInChI=1S/C16H16ClF2N/c1-10-7-12(4-6-14(10)18)16(20-2)8-11-3-5-13(17)9-15(11)19/h3-7,9,16,20H,8H2,1-2H3
InChIKeyQYTRPQDWKDVBLG-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
2-(4-chloro-2-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503685
2-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106849054
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878077
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105190509
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (CID 114855348) is 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1F)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The InChIKey is QYTRPQDWKDVBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10-7-12(4-6-14(10)18)16(20-2)8-11-3-5-13(17)9-15(11)19/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 114855348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).