2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol

C14H23NO3 — CID 82313988

IUPAC2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol
SMILESCCOc1ccc(C(O)CNC(CC)CO)cc1
InChIInChI=1S/C14H23NO3/c1-3-12(10-16)15-9-14(17)11-5-7-13(8-6-11)18-4-2/h5-8,12,14-17H,3-4,9-10H2,1-2H3
InChIKeyNLEUSNUIVQYUFZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.48
Rot. Bonds8

About 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol

2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol (PubChem CID 82313988) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol
PubChem CID82313988
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol
SMILESCCOc1ccc(C(O)CNC(CC)CO)cc1
InChIInChI=1S/C14H23NO3/c1-3-12(10-16)15-9-14(17)11-5-7-13(8-6-11)18-4-2/h5-8,12,14-17H,3-4,9-10H2,1-2H3
InChIKeyNLEUSNUIVQYUFZ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 82313995
(2S)-2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]amino]butan-1-ol
CID 41474772
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
4-[1-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]ethyl]benzonitrile
CID 106190442
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82313978
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)butan-1-ol
CID 82314041
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
(2S)-2-[[(2R)-2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]butan-1-ol
CID 25186198

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol (CID 82313988) is 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol is CCOc1ccc(C(O)CNC(CC)CO)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol?
The InChIKey is NLEUSNUIVQYUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-12(10-16)15-9-14(17)11-5-7-13(8-6-11)18-4-2/h5-8,12,14-17H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol?
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol is sourced from PubChem (CID 82313988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).