1-(2-fluoro-4-propan-2-ylphenyl)ethanamine

C11H16FN — CID 131378718

IUPAC1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)N)c(F)c1
InChIInChI=1S/C11H16FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-8H,13H2,1-3H3
InChIKeyZQZQBPBKAJJSFI-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.97
Rot. Bonds2

About 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine

1-(2-fluoro-4-propan-2-ylphenyl)ethanamine (PubChem CID 131378718) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
PubChem CID131378718
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)N)c(F)c1
InChIInChI=1S/C11H16FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-8H,13H2,1-3H3
InChIKeyZQZQBPBKAJJSFI-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288734
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine
CID 83834604
(1S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanamine
CID 90415150
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline
CID 83383940
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
CID 84684485
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene
CID 167631369

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine (CID 131378718) is 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)N)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine?
The InChIKey is ZQZQBPBKAJJSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-7(2)9-4-5-10(8(3)13)11(12)6-9/h4-8H,13H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine?
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine has a molecular weight of 181.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 131378718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).