N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine

C16H16Cl2FN — CID 107103191

IUPACN-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1cccc(Cl)c1C
InChIInChI=1S/C16H16Cl2FN/c1-3-20-16(12-5-4-6-14(17)10(12)2)13-9-11(19)7-8-15(13)18/h4-9,16,20H,3H2,1-2H3
InChIKeyXTGNEPKZYWWVNG-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.14
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine

N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine (PubChem CID 107103191) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
PubChem CID107103191
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1cccc(Cl)c1C
InChIInChI=1S/C16H16Cl2FN/c1-3-20-16(12-5-4-6-14(17)10(12)2)13-9-11(19)7-8-15(13)18/h4-9,16,20H,3H2,1-2H3
InChIKeyXTGNEPKZYWWVNG-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345
N-[(3-chloro-2-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 107102020
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
N-[(2-chloro-4,5-difluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 107476507
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(5-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851389

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine (CID 107103191) is N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1Cl)c1cccc(Cl)c1C.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine?
The InChIKey is XTGNEPKZYWWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-3-20-16(12-5-4-6-14(17)10(12)2)13-9-11(19)7-8-15(13)18/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107103191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).