5-amino-4-(2-fluorophenyl)pentan-2-ol

C11H16FNO — CID 81422471

IUPAC5-amino-4-(2-fluorophenyl)pentan-2-ol
SMILESCC(O)CC(CN)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-8(14)6-9(7-13)10-4-2-3-5-11(10)12/h2-5,8-9,14H,6-7,13H2,1H3
InChIKeyXNUSWAKGSRFXDB-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.64
Rot. Bonds4

About 5-amino-4-(2-fluorophenyl)pentan-2-ol

5-amino-4-(2-fluorophenyl)pentan-2-ol (PubChem CID 81422471) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-amino-4-(2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-4-(2-fluorophenyl)pentan-2-ol
PubChem CID81422471
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-amino-4-(2-fluorophenyl)pentan-2-ol
SMILESCC(O)CC(CN)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-8(14)6-9(7-13)10-4-2-3-5-11(10)12/h2-5,8-9,14H,6-7,13H2,1H3
InChIKeyXNUSWAKGSRFXDB-UHFFFAOYSA-N
XLogP1.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-4-(2-fluorophenyl)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
2-(aminomethyl)-4-(2-fluorophenyl)hexanoic acid
CID 69267183
2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
CID 65188119
5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol
CID 115525865
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970
2-(2-fluorophenyl)-6-methoxyhexan-1-amine
CID 104649507
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-fluorophenyl)pentan-2-ol?
The IUPAC name of 5-amino-4-(2-fluorophenyl)pentan-2-ol (CID 81422471) is 5-amino-4-(2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for 5-amino-4-(2-fluorophenyl)pentan-2-ol?
The canonical SMILES for 5-amino-4-(2-fluorophenyl)pentan-2-ol is CC(O)CC(CN)c1ccccc1F.
What is the InChIKey of 5-amino-4-(2-fluorophenyl)pentan-2-ol?
The InChIKey is XNUSWAKGSRFXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(14)6-9(7-13)10-4-2-3-5-11(10)12/h2-5,8-9,14H,6-7,13H2,1H3.
What are the key properties of 5-amino-4-(2-fluorophenyl)pentan-2-ol?
5-amino-4-(2-fluorophenyl)pentan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 81422471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).