1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

C17H20FN — CID 62549310

IUPAC1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9,17H,10,19H2,1-3H3
InChIKeyYPDMTRINGSIZRH-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.99
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62549310) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62549310
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FN/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9,17H,10,19H2,1-3H3
InChIKeyYPDMTRINGSIZRH-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 55188112
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549860
1-(4-fluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549311
2-[3-chloro-2-(4-fluorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79437417
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230
1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829272
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65298904
2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine
CID 60818981

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 62549310) is 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CC(N)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is YPDMTRINGSIZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9,17H,10,19H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62549310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).