1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine

C16H18FN — CID 62802677

IUPAC1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-4-9-15(12(2)10-11)16(3,18)13-5-7-14(17)8-6-13/h4-10H,18H2,1-3H3
InChIKeyQEFCYYFKICJESD-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.66
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine

1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine (PubChem CID 62802677) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine
PubChem CID62802677
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C16H18FN/c1-11-4-9-15(12(2)10-11)16(3,18)13-5-7-14(17)8-6-13/h4-10H,18H2,1-3H3
InChIKeyQEFCYYFKICJESD-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833811
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374
1-(4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156569
1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
CID 62788866
1-(4-bromophenyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55116362
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine
CID 55136169
2-(2,4-dimethylphenyl)-2-hydroxypropanal
CID 66040527
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine (CID 62802677) is 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine is Cc1ccc(C(C)(N)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is QEFCYYFKICJESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-4-9-15(12(2)10-11)16(3,18)13-5-7-14(17)8-6-13/h4-10H,18H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine?
1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 62802677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).