4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol

C16H24N2O3 — CID 120962845

IUPAC4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESC=CCc1cc(CNCC2CNCC2O)cc(OC)c1O
InChIInChI=1S/C16H24N2O3/c1-3-4-12-5-11(6-15(21-2)16(12)20)7-17-8-13-9-18-10-14(13)19/h3,5-6,13-14,17-20H,1,4,7-10H2,2H3
InChIKeyAZRRQMVRJLSDNZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.80
Rot. Bonds7

About 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol

4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962845) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962845
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESC=CCc1cc(CNCC2CNCC2O)cc(OC)c1O
InChIInChI=1S/C16H24N2O3/c1-3-4-12-5-11(6-15(21-2)16(12)20)7-17-8-13-9-18-10-14(13)19/h3,5-6,13-14,17-20H,1,4,7-10H2,2H3
InChIKeyAZRRQMVRJLSDNZ-UHFFFAOYSA-N
XLogP0.80
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120963107
4-[[(3-iodo-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962135
4-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963112
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxy-6-prop-2-enylphenol
CID 111122832
4-[[(2-bromo-5-hydroxy-4-methoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962889
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962110
4-[[(3-methoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962016
2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide
CID 120962121
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
4-[[(3,5-dichloro-2-methoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962721
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120963111

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol (CID 120962845) is 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol is C=CCc1cc(CNCC2CNCC2O)cc(OC)c1O.
What is the InChIKey of 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is AZRRQMVRJLSDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-12-5-11(6-15(21-2)16(12)20)7-17-8-13-9-18-10-14(13)19/h3,5-6,13-14,17-20H,1,4,7-10H2,2H3.
What are the key properties of 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 292.38 g/mol, XLogP of 0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).