1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol

C13H19NO2 — CID 114616947

IUPAC1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
SMILESC=C(C)CNCC(O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-10(2)8-14-9-13(15)11-5-4-6-12(7-11)16-3/h4-7,13-15H,1,8-9H2,2-3H3
InChIKeyFUPWQXFSIAXTPI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol

1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol (PubChem CID 114616947) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
PubChem CID114616947
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
SMILESC=C(C)CNCC(O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-10(2)8-14-9-13(15)11-5-4-6-12(7-11)16-3/h4-7,13-15H,1,8-9H2,2-3H3
InChIKeyFUPWQXFSIAXTPI-UHFFFAOYSA-N
XLogP1.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
1-(3-methoxyphenyl)-2-(propylamino)ethanol
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2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
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1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol (CID 114616947) is 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol is C=C(C)CNCC(O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol?
The InChIKey is FUPWQXFSIAXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)8-14-9-13(15)11-5-4-6-12(7-11)16-3/h4-7,13-15H,1,8-9H2,2-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol?
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol is sourced from PubChem (CID 114616947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).