2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol

C13H20N2O2 — CID 63297913

IUPAC2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCOc1cc(CN(C)C2CCNC2)ccc1O
InChIInChI=1S/C13H20N2O2/c1-15(11-5-6-14-8-11)9-10-3-4-12(16)13(7-10)17-2/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3
InChIKeyVECZFXNSCIKUIH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.19
Rot. Bonds4

About 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol

2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 63297913) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
PubChem CID63297913
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCOc1cc(CN(C)C2CCNC2)ccc1O
InChIInChI=1S/C13H20N2O2/c1-15(11-5-6-14-8-11)9-10-3-4-12(16)13(7-10)17-2/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3
InChIKeyVECZFXNSCIKUIH-UHFFFAOYSA-N
XLogP1.19
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
2-bromo-6-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 55172189
2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 55249893
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 63298131
4-[[azetidin-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 66184417
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol (CID 63297913) is 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol is COc1cc(CN(C)C2CCNC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is VECZFXNSCIKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(11-5-6-14-8-11)9-10-3-4-12(16)13(7-10)17-2/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 63297913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).