[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine

C15H15ClFN — CID 81441213

IUPAC[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine
SMILESCc1cc(-c2ccc(CN)cc2F)c(C)cc1Cl
InChIInChI=1S/C15H15ClFN/c1-9-6-14(16)10(2)5-13(9)12-4-3-11(8-18)7-15(12)17/h3-7H,8,18H2,1-2H3
InChIKeyIAFPDVGFMUOUTE-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.22
Rot. Bonds2

About [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine

[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine (PubChem CID 81441213) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine
PubChem CID81441213
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine
SMILESCc1cc(-c2ccc(CN)cc2F)c(C)cc1Cl
InChIInChI=1S/C15H15ClFN/c1-9-6-14(16)10(2)5-13(9)12-4-3-11(8-18)7-15(12)17/h3-7H,8,18H2,1-2H3
InChIKeyIAFPDVGFMUOUTE-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645
[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methanamine
CID 105410096
[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
CID 114060514
[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
CID 114275253
1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 115484339
[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 115502881
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine (CID 81441213) is [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine is Cc1cc(-c2ccc(CN)cc2F)c(C)cc1Cl.
What is the InChIKey of [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine?
The InChIKey is IAFPDVGFMUOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-9-6-14(16)10(2)5-13(9)12-4-3-11(8-18)7-15(12)17/h3-7H,8,18H2,1-2H3.
What are the key properties of [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine?
[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine has a molecular weight of 263.74 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 81441213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).