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

C16H17ClFN — CID 63195375

IUPAC1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-11-7-8-13(9-14(11)17)16(19-2)10-12-5-3-4-6-15(12)18/h3-9,16,19H,10H2,1-2H3
InChIKeyFCFXHICAJXLANY-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.29
Rot. Bonds4

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

1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 63195375) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID63195375
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17ClFN/c1-11-7-8-13(9-14(11)17)16(19-2)10-12-5-3-4-6-15(12)18/h3-9,16,19H,10H2,1-2H3
InChIKeyFCFXHICAJXLANY-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
1-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63418747
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82772326
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82814752
2-(2-fluorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 43484269

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 63195375) is 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is FCFXHICAJXLANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-7-8-13(9-14(11)17)16(19-2)10-12-5-3-4-6-15(12)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 63195375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).