2-[(2-prop-2-enoxyphenyl)methylamino]ethanol

C12H17NO2 — CID 7937309

IUPAC2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
SMILESC=CCOc1ccccc1CNCCO
InChIInChI=1S/C12H17NO2/c1-2-9-15-12-6-4-3-5-11(12)10-13-7-8-14/h2-6,13-14H,1,7-10H2
InChIKeyKASVQSRDZYQHLU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.33
Rot. Bonds7

About 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol

2-[(2-prop-2-enoxyphenyl)methylamino]ethanol (PubChem CID 7937309) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
PubChem CID7937309
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
SMILESC=CCOc1ccccc1CNCCO
InChIInChI=1S/C12H17NO2/c1-2-9-15-12-6-4-3-5-11(12)10-13-7-8-14/h2-6,13-14H,1,7-10H2
InChIKeyKASVQSRDZYQHLU-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
CID 83211974
N-[(2-prop-2-enoxyphenyl)methyl]pent-4-yn-1-amine
CID 103701789
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
(2-prop-2-enoxyphenyl)methanol
CID 11137475
N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
CID 55097704
5,5,5-trifluoro-N-[(2-prop-2-enoxyphenyl)methyl]pentan-1-amine
CID 115491359

Frequently Asked Questions

What is the IUPAC name of 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol (CID 7937309) is 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol is C=CCOc1ccccc1CNCCO.
What is the InChIKey of 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?
The InChIKey is KASVQSRDZYQHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-9-15-12-6-4-3-5-11(12)10-13-7-8-14/h2-6,13-14H,1,7-10H2.
What are the key properties of 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-prop-2-enoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 7937309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).