4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine

C13H19F2N — CID 117327284

IUPAC4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1cc(CCCCN)c(F)cc1F
InChIInChI=1S/C13H19F2N/c1-9(2)11-7-10(5-3-4-6-16)12(14)8-13(11)15/h7-9H,3-6,16H2,1-2H3
InChIKeyUIUJPJZSDZRUJT-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.37
Rot. Bonds5

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

4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine (PubChem CID 117327284) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine
PubChem CID117327284
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1cc(CCCCN)c(F)cc1F
InChIInChI=1S/C13H19F2N/c1-9(2)11-7-10(5-3-4-6-16)12(14)8-13(11)15/h7-9H,3-6,16H2,1-2H3
InChIKeyUIUJPJZSDZRUJT-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
CID 117289934
4-(6-propan-2-yl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117342934
2-amino-3-(2,4-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359429
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
CID 115003362
4-[2,3-difluoro-5-(1-fluoroethyl)phenyl]butan-1-amine
CID 117334201
3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117357572
2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
CID 117328035
5-(4-aminobutyl)-4-fluoro-2-methylbenzoic acid
CID 117323433
N-propan-2-yl-5-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103304826

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine (CID 117327284) is 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine is CC(C)c1cc(CCCCN)c(F)cc1F.
What is the InChIKey of 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine?
The InChIKey is UIUJPJZSDZRUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-9(2)11-7-10(5-3-4-6-16)12(14)8-13(11)15/h7-9H,3-6,16H2,1-2H3.
What are the key properties of 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine?
4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 117327284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).