N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

C19H24FN — CID 63508460

IUPACN-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24FN/c1-6-21-19(16-11-12(2)7-8-17(16)20)18-14(4)9-13(3)10-15(18)5/h7-11,19,21H,6H2,1-5H3
InChIKeyXLISMBCNEFHNIU-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.76
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 63508460) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID63508460
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24FN/c1-6-21-19(16-11-12(2)7-8-17(16)20)18-14(4)9-13(3)10-15(18)5/h7-11,19,21H,6H2,1-5H3
InChIKeyXLISMBCNEFHNIU-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81110085
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852716
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(3-chloro-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103405896
N-[(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 107476394
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
[(2-fluoro-4,6-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 106884601

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 63508460) is N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is XLISMBCNEFHNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-6-21-19(16-11-12(2)7-8-17(16)20)18-14(4)9-13(3)10-15(18)5/h7-11,19,21H,6H2,1-5H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 63508460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).