4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol

C14H22N2O2 — CID 113284221

IUPAC4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N2CCCC2CN)ccc1O
InChIInChI=1S/C14H22N2O2/c1-10(16-7-3-4-12(16)9-15)11-5-6-13(17)14(8-11)18-2/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3
InChIKeyOJPMLXXJVZKCFL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.88
Rot. Bonds4

About 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol

4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol (PubChem CID 113284221) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
PubChem CID113284221
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N2CCCC2CN)ccc1O
InChIInChI=1S/C14H22N2O2/c1-10(16-7-3-4-12(16)9-15)11-5-6-13(17)14(8-11)18-2/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3
InChIKeyOJPMLXXJVZKCFL-UHFFFAOYSA-N
XLogP1.88
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440659
2-methoxy-4-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]phenol
CID 82983747
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol
CID 82977456
2-methoxy-4-[1-(3-propoxypiperidin-1-yl)ethyl]phenol
CID 82957217
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
CID 43752358
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol (CID 113284221) is 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol is COc1cc(C(C)N2CCCC2CN)ccc1O.
What is the InChIKey of 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol?
The InChIKey is OJPMLXXJVZKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(16-7-3-4-12(16)9-15)11-5-6-13(17)14(8-11)18-2/h5-6,8,10,12,17H,3-4,7,9,15H2,1-2H3.
What are the key properties of 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol?
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol has a molecular weight of 250.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol is sourced from PubChem (CID 113284221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).