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

C14H23NO3 — CID 82313995

IUPAC2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
SMILESCCOc1ccc(C(O)CNC(C)(C)CO)cc1
InChIInChI=1S/C14H23NO3/c1-4-18-12-7-5-11(6-8-12)13(17)9-15-14(2,3)10-16/h5-8,13,15-17H,4,9-10H2,1-3H3
InChIKeyBEEVAISESKSIFZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.48
Rot. Bonds7

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

2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol (PubChem CID 82313995) 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]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
PubChem CID82313995
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
SMILESCCOc1ccc(C(O)CNC(C)(C)CO)cc1
InChIInChI=1S/C14H23NO3/c1-4-18-12-7-5-11(6-8-12)13(17)9-15-14(2,3)10-16/h5-8,13,15-17H,4,9-10H2,1-3H3
InChIKeyBEEVAISESKSIFZ-UHFFFAOYSA-N
XLogP1.48
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]butan-1-ol
CID 82313988
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 19831980
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82313978
2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol
CID 62772976
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 52904788
2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol
CID 13079634
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol (CID 82313995) is 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol is CCOc1ccc(C(O)CNC(C)(C)CO)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The InChIKey is BEEVAISESKSIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-18-12-7-5-11(6-8-12)13(17)9-15-14(2,3)10-16/h5-8,13,15-17H,4,9-10H2,1-3H3.
What are the key properties of 2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.48, 7 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]-2-methylpropan-1-ol is sourced from PubChem (CID 82313995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).