4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol

C14H23NO4 — CID 106246707

IUPAC4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC(O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO4/c1-18-10-12(16)6-7-15-9-14(17)11-4-3-5-13(8-11)19-2/h3-5,8,12,14-17H,6-7,9-10H2,1-2H3
InChIKeyPMUBSNREKNJTGL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.72
Rot. Bonds9

About 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol

4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol (PubChem CID 106246707) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
PubChem CID106246707
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC(O)c1cccc(OC)c1
InChIInChI=1S/C14H23NO4/c1-18-10-12(16)6-7-15-9-14(17)11-4-3-5-13(8-11)19-2/h3-5,8,12,14-17H,6-7,9-10H2,1-2H3
InChIKeyPMUBSNREKNJTGL-UHFFFAOYSA-N
XLogP0.72
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol (CID 106246707) is 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol is COCC(O)CCNCC(O)c1cccc(OC)c1.
What is the InChIKey of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol?
The InChIKey is PMUBSNREKNJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-18-10-12(16)6-7-15-9-14(17)11-4-3-5-13(8-11)19-2/h3-5,8,12,14-17H,6-7,9-10H2,1-2H3.
What are the key properties of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol?
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106246707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).