[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine

C15H15ClFN — CID 172876806

IUPAC[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine
SMILESCc1cc(-c2cc(F)cc(Cl)c2)cc(C)c1CN
InChIInChI=1S/C15H15ClFN/c1-9-3-11(4-10(2)15(9)8-18)12-5-13(16)7-14(17)6-12/h3-7H,8,18H2,1-2H3
InChIKeyUAUUZVBDAQTFHX-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.22
Rot. Bonds2

About [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine

[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine (PubChem CID 172876806) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine
PubChem CID172876806
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine
SMILESCc1cc(-c2cc(F)cc(Cl)c2)cc(C)c1CN
InChIInChI=1S/C15H15ClFN/c1-9-3-11(4-10(2)15(9)8-18)12-5-13(16)7-14(17)6-12/h3-7H,8,18H2,1-2H3
InChIKeyUAUUZVBDAQTFHX-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

4-(3-chloro-5-fluorophenyl)-2-methylaniline
CID 115504609
[2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine
CID 20837582
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
3-chloro-5-(3-chloro-5-fluorophenyl)phenol
CID 53221372
[4-(2-fluorophenyl)-2,6-dimethylphenyl]methanamine;hydrochloride
CID 172876719
3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine
CID 115504711
[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine
CID 172876736
[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine
CID 171016039
[2-(3-chloro-5-fluorophenyl)-5-methoxyphenyl]methanamine
CID 114078570
1-chloro-3,5-difluorobenzene
CID 159732874
4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
CID 114453923
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine?
The IUPAC name of [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine (CID 172876806) is [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine.
What is the SMILES notation for [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine?
The canonical SMILES for [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine is Cc1cc(-c2cc(F)cc(Cl)c2)cc(C)c1CN.
What is the InChIKey of [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine?
The InChIKey is UAUUZVBDAQTFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-9-3-11(4-10(2)15(9)8-18)12-5-13(16)7-14(17)6-12/h3-7H,8,18H2,1-2H3.
What are the key properties of [4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine?
[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]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-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine is sourced from PubChem (CID 172876806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).