N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine

C18H22FN — CID 106882243

IUPACN-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)cc(C)cc2F)c(C)c1
InChIInChI=1S/C18H22FN/c1-5-20-11-15-6-7-16(13(3)10-15)18-14(4)8-12(2)9-17(18)19/h6-10,20H,5,11H2,1-4H3
InChIKeyBWPCWPWCANXJHN-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.53
Rot. Bonds4

About N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine

N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine (PubChem CID 106882243) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
PubChem CID106882243
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)cc(C)cc2F)c(C)c1
InChIInChI=1S/C18H22FN/c1-5-20-11-15-6-7-16(13(3)10-15)18-14(4)8-12(2)9-17(18)19/h6-10,20H,5,11H2,1-4H3
InChIKeyBWPCWPWCANXJHN-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 106882311
N-[[4-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106879378
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[[3-fluoro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106681131
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
N-[[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]methyl]ethanamine
CID 79742796
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63425094
N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882253
N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 64855811
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine (CID 106882243) is N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(-c2c(C)cc(C)cc2F)c(C)c1.
What is the InChIKey of N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine?
The InChIKey is BWPCWPWCANXJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-5-20-11-15-6-7-16(13(3)10-15)18-14(4)8-12(2)9-17(18)19/h6-10,20H,5,11H2,1-4H3.
What are the key properties of N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine?
N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 106882243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).