3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol

C14H22FNO3 — CID 111565095

IUPAC3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
SMILESCc1cc(F)ccc1C(O)CN(CCO)CCCO
InChIInChI=1S/C14H22FNO3/c1-11-9-12(15)3-4-13(11)14(19)10-16(6-8-18)5-2-7-17/h3-4,9,14,17-19H,2,5-8,10H2,1H3
InChIKeyFWMPHDQEOBMPQX-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.84
Rot. Bonds8

About 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol

3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 111565095) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID111565095
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
SMILESCc1cc(F)ccc1C(O)CN(CCO)CCCO
InChIInChI=1S/C14H22FNO3/c1-11-9-12(15)3-4-13(11)14(19)10-16(6-8-18)5-2-7-17/h3-4,9,14,17-19H,2,5-8,10H2,1H3
InChIKeyFWMPHDQEOBMPQX-UHFFFAOYSA-N
XLogP0.84
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol
CID 111565156
2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
CID 111564959
1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 82217059
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol (CID 111565095) is 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol is Cc1cc(F)ccc1C(O)CN(CCO)CCCO.
What is the InChIKey of 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is FWMPHDQEOBMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-11-9-12(15)3-4-13(11)14(19)10-16(6-8-18)5-2-7-17/h3-4,9,14,17-19H,2,5-8,10H2,1H3.
What are the key properties of 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol?
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 271.33 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 111565095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).