N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine

C16H16ClF2N — CID 115861982

IUPACN-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(C)c1)c1cccc(F)c1F
InChIInChI=1S/C16H16ClF2N/c1-3-20-16(11-7-8-13(17)10(2)9-11)12-5-4-6-14(18)15(12)19/h4-9,16,20H,3H2,1-2H3
InChIKeyRGAYTEUNZPXAOH-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.63
Rot. Bonds4

About N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine

N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine (PubChem CID 115861982) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
PubChem CID115861982
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC NameN-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(C)c1)c1cccc(F)c1F
InChIInChI=1S/C16H16ClF2N/c1-3-20-16(11-7-8-13(17)10(2)9-11)12-5-4-6-14(18)15(12)19/h4-9,16,20H,3H2,1-2H3
InChIKeyRGAYTEUNZPXAOH-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045
N-[(4-bromo-3-chloro-2-fluorophenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 106764878
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[(4-chloro-2,5-dimethylphenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 81267229
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine (CID 115861982) is N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(C)c1)c1cccc(F)c1F.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine?
The InChIKey is RGAYTEUNZPXAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-3-20-16(11-7-8-13(17)10(2)9-11)12-5-4-6-14(18)15(12)19/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine?
N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115861982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).