1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol

C14H21NO2 — CID 114066920

IUPAC1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
SMILESC=CCN(CCO)c1ccc(C(O)CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-9-15(10-11-16)13-7-5-12(6-8-13)14(17)4-2/h3,5-8,14,16-17H,1,4,9-11H2,2H3
InChIKeyTVGCGBGQPOISQW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds7

About 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol

1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol (PubChem CID 114066920) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
PubChem CID114066920
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
SMILESC=CCN(CCO)c1ccc(C(O)CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-9-15(10-11-16)13-7-5-12(6-8-13)14(17)4-2/h3,5-8,14,16-17H,1,4,9-11H2,2H3
InChIKeyTVGCGBGQPOISQW-UHFFFAOYSA-N
XLogP2.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
CID 104869538
1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
CID 114066751
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
1-(4-ethenylphenyl)propan-1-ol
CID 57179237
(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
CID 104869570
1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
CID 114066768
3-[4-(diethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317527
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol
CID 69382190
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 104869537

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol (CID 114066920) is 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol is C=CCN(CCO)c1ccc(C(O)CC)cc1.
What is the InChIKey of 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol?
The InChIKey is TVGCGBGQPOISQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-15(10-11-16)13-7-5-12(6-8-13)14(17)4-2/h3,5-8,14,16-17H,1,4,9-11H2,2H3.
What are the key properties of 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol?
1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 114066920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).