2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol

C13H19NO2 — CID 83910561

IUPAC2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol
SMILESCOc1cc(C(C)C2CCNC2)ccc1O
InChIInChI=1S/C13H19NO2/c1-9(11-5-6-14-8-11)10-3-4-12(15)13(7-10)16-2/h3-4,7,9,11,14-15H,5-6,8H2,1-2H3
InChIKeyZMXNDULRKNHVEX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.11
Rot. Bonds3

About 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol

2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol (PubChem CID 83910561) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol
PubChem CID83910561
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol
SMILESCOc1cc(C(C)C2CCNC2)ccc1O
InChIInChI=1S/C13H19NO2/c1-9(11-5-6-14-8-11)10-3-4-12(15)13(7-10)16-2/h3-4,7,9,11,14-15H,5-6,8H2,1-2H3
InChIKeyZMXNDULRKNHVEX-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228
4-(1-piperidin-3-ylethyl)benzene-1,2-diol
CID 83910552
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
4-(1-pyrrolidin-3-ylpropyl)benzene-1,2-diol
CID 83910553
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023128
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol?
The IUPAC name of 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol (CID 83910561) is 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol.
What is the SMILES notation for 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol?
The canonical SMILES for 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol is COc1cc(C(C)C2CCNC2)ccc1O.
What is the InChIKey of 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol?
The InChIKey is ZMXNDULRKNHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(11-5-6-14-8-11)10-3-4-12(15)13(7-10)16-2/h3-4,7,9,11,14-15H,5-6,8H2,1-2H3.
What are the key properties of 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol?
2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol is sourced from PubChem (CID 83910561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).