1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine

C15H14ClF2N — CID 107475984

IUPAC1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-9-3-2-4-10(5-9)6-15(19)11-7-13(17)14(18)8-12(11)16/h2-5,7-8,15H,6,19H2,1H3
InChIKeyPPJGALOWUIWWGI-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.17
Rot. Bonds3

About 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine

1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine (PubChem CID 107475984) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
PubChem CID107475984
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-9-3-2-4-10(5-9)6-15(19)11-7-13(17)14(18)8-12(11)16/h2-5,7-8,15H,6,19H2,1H3
InChIKeyPPJGALOWUIWWGI-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
1-(2-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067518
1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
CID 82772910
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine (CID 107475984) is 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)c2cc(F)c(F)cc2Cl)c1.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is PPJGALOWUIWWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-3-2-4-10(5-9)6-15(19)11-7-13(17)14(18)8-12(11)16/h2-5,7-8,15H,6,19H2,1H3.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine?
1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 107475984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).