2-(3-aminobutyl)-4,5-difluorophenol

C10H13F2NO — CID 141202950

IUPAC2-(3-aminobutyl)-4,5-difluorophenol
SMILESCC(N)CCc1cc(F)c(F)cc1O
InChIInChI=1S/C10H13F2NO/c1-6(13)2-3-7-4-8(11)9(12)5-10(7)14/h4-6,14H,2-3,13H2,1H3
InChIKeyPJEIEUNZDXCHDP-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.95
Rot. Bonds3

About 2-(3-aminobutyl)-4,5-difluorophenol

2-(3-aminobutyl)-4,5-difluorophenol (PubChem CID 141202950) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3-aminobutyl)-4,5-difluorophenol.

Molecular Properties

Compound Name2-(3-aminobutyl)-4,5-difluorophenol
PubChem CID141202950
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(3-aminobutyl)-4,5-difluorophenol
SMILESCC(N)CCc1cc(F)c(F)cc1O
InChIInChI=1S/C10H13F2NO/c1-6(13)2-3-7-4-8(11)9(12)5-10(7)14/h4-6,14H,2-3,13H2,1H3
InChIKeyPJEIEUNZDXCHDP-UHFFFAOYSA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phosphoric acid;4-(2,4,5-trifluorophenyl)butan-2-amine;hydrate
CID 89253544
4-amino-2-(3-aminobutyl)phenol
CID 84657538
2-(3-aminobutyl)-5-bromophenol
CID 130001244
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
4-(2-fluoro-4-iodophenyl)butan-2-amine
CID 130053939
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
3-[(3S)-3-aminobutyl]-4-methylphenol
CID 130741104
3-(3-aminobutyl)-4-methylphenol
CID 130001431
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-4,5-difluorophenol?
The IUPAC name of 2-(3-aminobutyl)-4,5-difluorophenol (CID 141202950) is 2-(3-aminobutyl)-4,5-difluorophenol.
What is the SMILES notation for 2-(3-aminobutyl)-4,5-difluorophenol?
The canonical SMILES for 2-(3-aminobutyl)-4,5-difluorophenol is CC(N)CCc1cc(F)c(F)cc1O.
What is the InChIKey of 2-(3-aminobutyl)-4,5-difluorophenol?
The InChIKey is PJEIEUNZDXCHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(13)2-3-7-4-8(11)9(12)5-10(7)14/h4-6,14H,2-3,13H2,1H3.
What are the key properties of 2-(3-aminobutyl)-4,5-difluorophenol?
2-(3-aminobutyl)-4,5-difluorophenol has a molecular weight of 201.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-4,5-difluorophenol is sourced from PubChem (CID 141202950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).