1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine

C11H15F2N — CID 117288733

IUPAC1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1cc(C(C)N)c(F)cc1F
InChIInChI=1S/C11H15F2N/c1-6(2)8-4-9(7(3)14)11(13)5-10(8)12/h4-7H,14H2,1-3H3
InChIKeyAVKOFCUEDBPIIG-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.11
Rot. Bonds2

About 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine

1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine (PubChem CID 117288733) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
PubChem CID117288733
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1cc(C(C)N)c(F)cc1F
InChIInChI=1S/C11H15F2N/c1-6(2)8-4-9(7(3)14)11(13)5-10(8)12/h4-7H,14H2,1-3H3
InChIKeyAVKOFCUEDBPIIG-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941
[3-(1-aminoethyl)-4-fluorophenyl]methanol
CID 55283216
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
1-(2,3-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288734
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
3-(2,4-difluoro-5-propan-2-ylphenyl)butanal
CID 117325497
O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
CID 117289934
4-(1-aminoethyl)-2,5-difluorobenzoic acid
CID 117289743

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine (CID 117288733) is 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine is CC(C)c1cc(C(C)N)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine?
The InChIKey is AVKOFCUEDBPIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-6(2)8-4-9(7(3)14)11(13)5-10(8)12/h4-7H,14H2,1-3H3.
What are the key properties of 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine?
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine has a molecular weight of 199.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 117288733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).