2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol

C15H24N2O2 — CID 63263171

IUPAC2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCNCC1CCN(C(C)c2ccc(O)c(OC)c2)C1
InChIInChI=1S/C15H24N2O2/c1-11(17-7-6-12(10-17)9-16-2)13-4-5-14(18)15(8-13)19-3/h4-5,8,11-12,16,18H,6-7,9-10H2,1-3H3
InChIKeyNHHJOURWGPDYOK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.00
Rot. Bonds5

About 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol

2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol (PubChem CID 63263171) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
PubChem CID63263171
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
SMILESCNCC1CCN(C(C)c2ccc(O)c(OC)c2)C1
InChIInChI=1S/C15H24N2O2/c1-11(17-7-6-12(10-17)9-16-2)13-4-5-14(18)15(8-13)19-3/h4-5,8,11-12,16,18H,6-7,9-10H2,1-3H3
InChIKeyNHHJOURWGPDYOK-UHFFFAOYSA-N
XLogP2.00
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,4-diol
CID 63263654
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,3-diol
CID 107711411
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345
2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
CID 82957217
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol (CID 63263171) is 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol is CNCC1CCN(C(C)c2ccc(O)c(OC)c2)C1.
What is the InChIKey of 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol?
The InChIKey is NHHJOURWGPDYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(17-7-6-12(10-17)9-16-2)13-4-5-14(18)15(8-13)19-3/h4-5,8,11-12,16,18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol?
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol is sourced from PubChem (CID 63263171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).