4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol

C18H21NO2 — CID 61237649

IUPAC4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
SMILESC=CCOc1ccc(CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-13-21-18-9-5-16(6-10-18)14-19-12-11-15-3-7-17(20)8-4-15/h2-10,19-20H,1,11-14H2
InChIKeyFIUPHONTLWSEBM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.29
Rot. Bonds8

About 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol

4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol (PubChem CID 61237649) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
PubChem CID61237649
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
SMILESC=CCOc1ccc(CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-13-21-18-9-5-16(6-10-18)14-19-12-11-15-3-7-17(20)8-4-15/h2-10,19-20H,1,11-14H2
InChIKeyFIUPHONTLWSEBM-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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

4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 4718833
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449
phenol;4-prop-2-enoxyphenol
CID 70303777
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
CID 61238423

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol (CID 61237649) is 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol is C=CCOc1ccc(CNCCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol?
The InChIKey is FIUPHONTLWSEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-13-21-18-9-5-16(6-10-18)14-19-12-11-15-3-7-17(20)8-4-15/h2-10,19-20H,1,11-14H2.
What are the key properties of 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol?
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 61237649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).