2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol

C14H23NO3 — CID 107710127

IUPAC2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol
SMILESCCNC(C)(CO)COc1ccc(CCO)cc1
InChIInChI=1S/C14H23NO3/c1-3-15-14(2,10-17)11-18-13-6-4-12(5-7-13)8-9-16/h4-7,15-17H,3,8-11H2,1-2H3
InChIKeyQSHQPARQAGWZIE-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.96
Rot. Bonds8

About 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol

2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol (PubChem CID 107710127) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol
PubChem CID107710127
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol
SMILESCCNC(C)(CO)COc1ccc(CCO)cc1
InChIInChI=1S/C14H23NO3/c1-3-15-14(2,10-17)11-18-13-6-4-12(5-7-13)8-9-16/h4-7,15-17H,3,8-11H2,1-2H3
InChIKeyQSHQPARQAGWZIE-UHFFFAOYSA-N
XLogP0.96
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-butylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 115493558
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
3-(ethylamino)-5-(4-methoxyphenyl)-3-methylpentan-1-ol
CID 65235107
3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64803556
2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol
CID 64803815
2-(ethylamino)-2-methyl-3-(3-propan-2-ylphenoxy)propan-1-ol
CID 64802859
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
CID 107709939
3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 107709862
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
2-amino-3-(4-butylphenoxy)-2-methylpropan-1-ol
CID 113322785

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol (CID 107710127) is 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol is CCNC(C)(CO)COc1ccc(CCO)cc1.
What is the InChIKey of 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol?
The InChIKey is QSHQPARQAGWZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-15-14(2,10-17)11-18-13-6-4-12(5-7-13)8-9-16/h4-7,15-17H,3,8-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol?
2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[4-(2-hydroxyethyl)phenoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 107710127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).