4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol

C12H18FNO2 — CID 107693456

IUPAC4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol
SMILESCCC(C)NC(CO)c1ccc(O)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-3-8(2)14-11(7-15)9-4-5-12(16)10(13)6-9/h4-6,8,11,14-16H,3,7H2,1-2H3
InChIKeyGAIPGXODVZRTIE-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.95
Rot. Bonds5

About 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol

4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol (PubChem CID 107693456) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol
PubChem CID107693456
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol
SMILESCCC(C)NC(CO)c1ccc(O)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-3-8(2)14-11(7-15)9-4-5-12(16)10(13)6-9/h4-6,8,11,14-16H,3,7H2,1-2H3
InChIKeyGAIPGXODVZRTIE-UHFFFAOYSA-N
XLogP1.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528120
2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol
CID 13147086
4-[1-(cyclopropylamino)-2-hydroxyethyl]-2-fluorophenol
CID 107693474
2-(butan-2-ylamino)-2-(3-chloro-5-fluorophenyl)ethanol
CID 114454318
2-fluoro-4-[2-hydroxy-1-(2-methoxyethylamino)ethyl]phenol
CID 107693476
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol
CID 97158414
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
CID 107693461
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
2-[(1R)-1-[[(1R)-2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]amino]propyl]phenol
CID 124592742

Frequently Asked Questions

What is the IUPAC name of 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol?
The IUPAC name of 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol (CID 107693456) is 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol.
What is the SMILES notation for 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol?
The canonical SMILES for 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol is CCC(C)NC(CO)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol?
The InChIKey is GAIPGXODVZRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-8(2)14-11(7-15)9-4-5-12(16)10(13)6-9/h4-6,8,11,14-16H,3,7H2,1-2H3.
What are the key properties of 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol?
4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol has a molecular weight of 227.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(butan-2-ylamino)-2-hydroxyethyl]-2-fluorophenol is sourced from PubChem (CID 107693456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).