2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine

C16H17ClFN — CID 102618613

IUPAC2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)c1ccccc1C
InChIInChI=1S/C16H17ClFN/c1-11-5-3-4-6-14(11)16(19-2)10-12-9-13(18)7-8-15(12)17/h3-9,16,19H,10H2,1-2H3
InChIKeyHCDIMWINIJABFR-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.29
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine (PubChem CID 102618613) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
PubChem CID102618613
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)c1ccccc1C
InChIInChI=1S/C16H17ClFN/c1-11-5-3-4-6-14(11)16(19-2)10-12-9-13(18)7-8-15(12)17/h3-9,16,19H,10H2,1-2H3
InChIKeyHCDIMWINIJABFR-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

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 102622705
N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 102618617
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
1-(2-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809821
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine (CID 102618613) is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine is CNC(Cc1cc(F)ccc1Cl)c1ccccc1C.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine?
The InChIKey is HCDIMWINIJABFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-5-3-4-6-14(11)16(19-2)10-12-9-13(18)7-8-15(12)17/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine 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 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 102618613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).