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

C17H19NO2 — CID 43743087

IUPAC[2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol
SMILESC=CCOc1ccc(CNc2ccccc2CO)cc1
InChIInChI=1S/C17H19NO2/c1-2-11-20-16-9-7-14(8-10-16)12-18-17-6-4-3-5-15(17)13-19/h2-10,18-19H,1,11-13H2
InChIKeyHNXRSMNKOZIUFU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.36
Rot. Bonds7

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

[2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol (PubChem CID 43743087) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol
PubChem CID43743087
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol
SMILESC=CCOc1ccc(CNc2ccccc2CO)cc1
InChIInChI=1S/C17H19NO2/c1-2-11-20-16-9-7-14(8-10-16)12-18-17-6-4-3-5-15(17)13-19/h2-10,18-19H,1,11-13H2
InChIKeyHNXRSMNKOZIUFU-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.36
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

2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 43677797
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
[2-(prop-2-enylamino)phenyl]methanol
CID 15084062
2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
CID 61238423
[2-[[4-(difluoromethyl)phenyl]methylamino]phenyl]methanol
CID 115523759
2-[2-[(4-ethoxyphenyl)methylamino]phenyl]acetamide
CID 43738439
2-methyl-2-[(4-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 2958853
2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 30053969
2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 4718833
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
CID 43790512

Frequently Asked Questions

What is the IUPAC name of [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol (CID 43743087) is [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol is C=CCOc1ccc(CNc2ccccc2CO)cc1.
What is the InChIKey of [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol?
The InChIKey is HNXRSMNKOZIUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-11-20-16-9-7-14(8-10-16)12-18-17-6-4-3-5-15(17)13-19/h2-10,18-19H,1,11-13H2.
What are the key properties of [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol?
[2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol has a molecular weight of 269.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-prop-2-enoxyphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 43743087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).