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

C18H21NO2 — CID 43220929

IUPAC1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
SMILESC=CCOc1ccccc1CNCC(O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-12-21-18-11-7-6-10-16(18)13-19-14-17(20)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2
InChIKeyNVHQJZUEKGWAPZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.07
Rot. Bonds8

About 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol

1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol (PubChem CID 43220929) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
PubChem CID43220929
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
SMILESC=CCOc1ccccc1CNCC(O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-2-12-21-18-11-7-6-10-16(18)13-19-14-17(20)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2
InChIKeyNVHQJZUEKGWAPZ-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.07
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

1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 27153591
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2,2-diethoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 78910495
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875456
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
N-[(2,5-difluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 63379238
(1R)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-1-phenylethanol
CID 8623169

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol (CID 43220929) is 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol is C=CCOc1ccccc1CNCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?
The InChIKey is NVHQJZUEKGWAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-12-21-18-11-7-6-10-16(18)13-19-14-17(20)15-8-4-3-5-9-15/h2-11,17,19-20H,1,12-14H2.
What are the key properties of 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol?
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol has a molecular weight of 283.37 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 43220929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).