N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine

C16H16ClF2N — CID 115859932

IUPACN-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1C)c1c(F)cccc1F
InChIInChI=1S/C16H16ClF2N/c1-3-20-16(12-9-11(17)8-7-10(12)2)15-13(18)5-4-6-14(15)19/h4-9,16,20H,3H2,1-2H3
InChIKeyXJVKDNLKIGPJMJ-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.63
Rot. Bonds4

About N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine

N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine (PubChem CID 115859932) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
PubChem CID115859932
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC NameN-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1C)c1c(F)cccc1F
InChIInChI=1S/C16H16ClF2N/c1-3-20-16(12-9-11(17)8-7-10(12)2)15-13(18)5-4-6-14(15)19/h4-9,16,20H,3H2,1-2H3
InChIKeyXJVKDNLKIGPJMJ-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-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine (CID 115859932) is N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1C)c1c(F)cccc1F.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The InChIKey is XJVKDNLKIGPJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-3-20-16(12-9-11(17)8-7-10(12)2)15-13(18)5-4-6-14(15)19/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine?
N-[(5-chloro-2-methylphenyl)-(2,6-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-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115859932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).