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

C16H16ClF2N — CID 102857521

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccc(C)c(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10-6-7-11(8-14(10)18)15(20-2)9-12-4-3-5-13(17)16(12)19/h3-8,15,20H,9H2,1-2H3
InChIKeyOBKQCNDLHIKVBS-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.43
Rot. Bonds4

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

2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 102857521) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID102857521
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1ccc(C)c(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10-6-7-11(8-14(10)18)15(20-2)9-12-4-3-5-13(17)16(12)19/h3-8,15,20H,9H2,1-2H3
InChIKeyOBKQCNDLHIKVBS-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

1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903
2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 102857856
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
[1-(3-bromo-4-methylphenyl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868845
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
2-(3-chloro-2-fluorophenyl)-1-(furan-3-yl)-N-methylethanamine
CID 82806792
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857803

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (CID 102857521) is 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1F)c1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is OBKQCNDLHIKVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10-6-7-11(8-14(10)18)15(20-2)9-12-4-3-5-13(17)16(12)19/h3-8,15,20H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-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-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 102857521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).