4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol

C17H26N2O2 — CID 120780624

IUPAC4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(CN2CCC(C)(CN)C2)cc(OC)c1O
InChIInChI=1S/C17H26N2O2/c1-4-5-14-8-13(9-15(21-3)16(14)20)10-19-7-6-17(2,11-18)12-19/h4,8-9,20H,1,5-7,10-12,18H2,2-3H3
InChIKeyKEHWKJTUHSDYPX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds6

About 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol

4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol (PubChem CID 120780624) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol
PubChem CID120780624
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(CN2CCC(C)(CN)C2)cc(OC)c1O
InChIInChI=1S/C17H26N2O2/c1-4-5-14-8-13(9-15(21-3)16(14)20)10-19-7-6-17(2,11-18)12-19/h4,8-9,20H,1,5-7,10-12,18H2,2-3H3
InChIKeyKEHWKJTUHSDYPX-UHFFFAOYSA-N
XLogP2.30
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780742
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-4-bromo-2-methoxyphenol
CID 120780657
[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780515
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxy-6-prop-2-enylphenol
CID 111122832
[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780613
1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46966235
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82964690
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol?
The IUPAC name of 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol (CID 120780624) is 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol.
What is the SMILES notation for 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol?
The canonical SMILES for 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol is C=CCc1cc(CN2CCC(C)(CN)C2)cc(OC)c1O.
What is the InChIKey of 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol?
The InChIKey is KEHWKJTUHSDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-14-8-13(9-15(21-3)16(14)20)10-19-7-6-17(2,11-18)12-19/h4,8-9,20H,1,5-7,10-12,18H2,2-3H3.
What are the key properties of 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol?
4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol has a molecular weight of 290.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-2-methoxy-6-prop-2-enylphenol is sourced from PubChem (CID 120780624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).