2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol

C14H21NO3 — CID 113237463

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESC=CCN(CCO)CC(O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-7-15(8-9-16)11-14(17)12-5-4-6-13(10-12)18-2/h3-6,10,14,16-17H,1,7-9,11H2,2H3
InChIKeyHJYQPOXWFKRCTM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.21
Rot. Bonds8

About 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol

2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 113237463) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol
PubChem CID113237463
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESC=CCN(CCO)CC(O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-7-15(8-9-16)11-14(17)12-5-4-6-13(10-12)18-2/h3-6,10,14,16-17H,1,7-9,11H2,2H3
InChIKeyHJYQPOXWFKRCTM-UHFFFAOYSA-N
XLogP1.21
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 114231232
2-[cyanomethyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetonitrile
CID 81137106
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
CID 82216688
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 111423257
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol (CID 113237463) is 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol is C=CCN(CCO)CC(O)c1cccc(OC)c1.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is HJYQPOXWFKRCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-7-15(8-9-16)11-14(17)12-5-4-6-13(10-12)18-2/h3-6,10,14,16-17H,1,7-9,11H2,2H3.
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol?
2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 113237463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).