2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol

C15H24N2O2 — CID 82974216

IUPAC2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CC(C)C(N(C)C)C2)c1O
InChIInChI=1S/C15H24N2O2/c1-11-8-17(10-13(11)16(2)3)9-12-6-5-7-14(19-4)15(12)18/h5-7,11,13,18H,8-10H2,1-4H3
InChIKeyOFLGZEMDDUAUIP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.78
Rot. Bonds4

About 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol

2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol (PubChem CID 82974216) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol
PubChem CID82974216
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CC(C)C(N(C)C)C2)c1O
InChIInChI=1S/C15H24N2O2/c1-11-8-17(10-13(11)16(2)3)9-12-6-5-7-14(19-4)15(12)18/h5-7,11,13,18H,8-10H2,1-4H3
InChIKeyOFLGZEMDDUAUIP-UHFFFAOYSA-N
XLogP1.78
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol
CID 79986823
[3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-methoxyphenyl]boronic acid
CID 81464705
2-amino-6-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]benzoic acid
CID 104824818
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
1-[(2-fluoro-3-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 107348386
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
4-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788296
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol
CID 82980371

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol (CID 82974216) is 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol is COc1cccc(CN2CC(C)C(N(C)C)C2)c1O.
What is the InChIKey of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol?
The InChIKey is OFLGZEMDDUAUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-8-17(10-13(11)16(2)3)9-12-6-5-7-14(19-4)15(12)18/h5-7,11,13,18H,8-10H2,1-4H3.
What are the key properties of 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol?
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol has a molecular weight of 264.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol is sourced from PubChem (CID 82974216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).