2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol

C18H21NO2 — CID 61238423

IUPAC2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
SMILESC=CCOc1ccc(CNc2ccc(CCO)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-13-21-18-9-5-16(6-10-18)14-19-17-7-3-15(4-8-17)11-12-20/h2-10,19-20H,1,11-14H2
InChIKeyCOCRUKBYDANFBN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.40
Rot. Bonds8

About 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol

2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol (PubChem CID 61238423) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
PubChem CID61238423
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
SMILESC=CCOc1ccc(CNc2ccc(CCO)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-2-13-21-18-9-5-16(6-10-18)14-19-17-7-3-15(4-8-17)11-12-20/h2-10,19-20H,1,11-14H2
InChIKeyCOCRUKBYDANFBN-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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

4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
4-nitro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 43226464
3-(4-prop-2-enoxyphenyl)propan-1-ol
CID 54214209
3,4-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 40603028
3,5-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28548817
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
CID 61238413
3-chloro-4-fluoro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28830718
2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 2958853
[2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol
CID 43743087
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
CID 61237649
4-bromo-3-methoxy-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 82859870
1-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]-4-prop-2-enoxybenzene;2-(4-prop-2-enoxyphenyl)ethanol
CID 158879366

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol (CID 61238423) is 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol is C=CCOc1ccc(CNc2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol?
The InChIKey is COCRUKBYDANFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-13-21-18-9-5-16(6-10-18)14-19-17-7-3-15(4-8-17)11-12-20/h2-10,19-20H,1,11-14H2.
What are the key properties of 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol?
2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol has a molecular weight of 283.37 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol is sourced from PubChem (CID 61238423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).