1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine

C15H15ClFN — CID 66159508

IUPAC1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1cc(F)ccc1C
InChIInChI=1S/C15H15ClFN/c1-10-3-5-13(17)8-15(10)14-6-4-12(16)7-11(14)9-18-2/h3-8,18H,9H2,1-2H3
InChIKeyIWHCVAXLWRSDPM-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.17
Rot. Bonds3

About 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine (PubChem CID 66159508) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
PubChem CID66159508
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1cc(F)ccc1C
InChIInChI=1S/C15H15ClFN/c1-10-3-5-13(17)8-15(10)14-6-4-12(16)7-11(14)9-18-2/h3-8,18H,9H2,1-2H3
InChIKeyIWHCVAXLWRSDPM-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[[5-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395708
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
3-[4-chloro-2-(methylaminomethyl)phenyl]-5-fluorobenzonitrile
CID 66424283
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine (CID 66159508) is 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1cc(F)ccc1C.
What is the InChIKey of 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is IWHCVAXLWRSDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-3-5-13(17)8-15(10)14-6-4-12(16)7-11(14)9-18-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 263.74 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-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66159508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).