1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine

C12H18FN — CID 84773708

IUPAC1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
SMILESCCc1ccc(F)cc1CC(C)(C)N
InChIInChI=1S/C12H18FN/c1-4-9-5-6-11(13)7-10(9)8-12(2,3)14/h5-7H,4,8,14H2,1-3H3
InChIKeyQMDXUADAUDNBRM-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine

1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 84773708) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
PubChem CID84773708
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
SMILESCCc1ccc(F)cc1CC(C)(C)N
InChIInChI=1S/C12H18FN/c1-4-9-5-6-11(13)7-10(9)8-12(2,3)14/h5-7H,4,8,14H2,1-3H3
InChIKeyQMDXUADAUDNBRM-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117379877
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
2-ethyl-1,4-difluorobenzene
CID 23202513
N-[(2-ethyl-5-fluorophenyl)methyl]hydroxylamine
CID 84765578
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
CID 68919271
2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 62724715
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615
2-methyl-1-(4-methyl-2-methylsulfanylphenyl)propan-2-amine
CID 117299551
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine (CID 84773708) is 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine is CCc1ccc(F)cc1CC(C)(C)N.
What is the InChIKey of 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is QMDXUADAUDNBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-9-5-6-11(13)7-10(9)8-12(2,3)14/h5-7H,4,8,14H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine?
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 84773708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).