4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol

C16H24FNO2 — CID 111565156

IUPAC4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol
SMILESCc1cc(F)ccc1C(O)CN(CCCCO)C1CC1
InChIInChI=1S/C16H24FNO2/c1-12-10-13(17)4-7-15(12)16(20)11-18(14-5-6-14)8-2-3-9-19/h4,7,10,14,16,19-20H,2-3,5-6,8-9,11H2,1H3
InChIKeyUOYWIAADFKWMOC-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.40
Rot. Bonds8

About 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol

4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol (PubChem CID 111565156) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol
PubChem CID111565156
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol
SMILESCc1cc(F)ccc1C(O)CN(CCCCO)C1CC1
InChIInChI=1S/C16H24FNO2/c1-12-10-13(17)4-7-15(12)16(20)11-18(14-5-6-14)8-2-3-9-19/h4,7,10,14,16,19-20H,2-3,5-6,8-9,11H2,1H3
InChIKeyUOYWIAADFKWMOC-UHFFFAOYSA-N
XLogP2.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111114276
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111107126
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
CID 65138964

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol (CID 111565156) is 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol is Cc1cc(F)ccc1C(O)CN(CCCCO)C1CC1.
What is the InChIKey of 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol?
The InChIKey is UOYWIAADFKWMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12-10-13(17)4-7-15(12)16(20)11-18(14-5-6-14)8-2-3-9-19/h4,7,10,14,16,19-20H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol?
4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol is sourced from PubChem (CID 111565156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).