3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine

C13H19F2N — CID 117327295

IUPAC3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1cc(F)c(F)c(C(C)CCN)c1
InChIInChI=1S/C13H19F2N/c1-8(2)10-6-11(9(3)4-5-16)13(15)12(14)7-10/h6-9H,4-5,16H2,1-3H3
InChIKeyUTPACVQTXZSUJL-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.54
Rot. Bonds4

About 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine

3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine (PubChem CID 117327295) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
PubChem CID117327295
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1cc(F)c(F)c(C(C)CCN)c1
InChIInChI=1S/C13H19F2N/c1-8(2)10-6-11(9(3)4-5-16)13(15)12(14)7-10/h6-9H,4-5,16H2,1-3H3
InChIKeyUTPACVQTXZSUJL-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.54
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
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
CID 117461468
3-amino-3-(2,3-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359464
ethyl 2-(2,3-difluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398914
3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
CID 84784490
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene
CID 139298385
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
CID 117303848

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine (CID 117327295) is 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine is CC(C)c1cc(F)c(F)c(C(C)CCN)c1.
What is the InChIKey of 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine?
The InChIKey is UTPACVQTXZSUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-8(2)10-6-11(9(3)4-5-16)13(15)12(14)7-10/h6-9H,4-5,16H2,1-3H3.
What are the key properties of 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine?
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 117327295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).