4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol

C16H24N2O2 — CID 43752358

IUPAC4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC2CCN3CCCC23)ccc1O
InChIInChI=1S/C16H24N2O2/c1-11(12-5-6-15(19)16(10-12)20-2)17-13-7-9-18-8-3-4-14(13)18/h5-6,10-11,13-14,17,19H,3-4,7-9H2,1-2H3
InChIKeyXLKFIKYQEXMQDZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds4

About 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol

4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol (PubChem CID 43752358) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
PubChem CID43752358
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC2CCN3CCCC23)ccc1O
InChIInChI=1S/C16H24N2O2/c1-11(12-5-6-15(19)16(10-12)20-2)17-13-7-9-18-8-3-4-14(13)18/h5-6,10-11,13-14,17,19H,3-4,7-9H2,1-2H3
InChIKeyXLKFIKYQEXMQDZ-UHFFFAOYSA-N
XLogP2.29
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol with MolForge

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Related Compounds

2-methoxy-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenol
CID 43373375
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 81345182
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752346
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694247
[4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]urea
CID 43792627
N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62090694
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783408
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol (CID 43752358) is 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol is COc1cc(C(C)NC2CCN3CCCC23)ccc1O.
What is the InChIKey of 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol?
The InChIKey is XLKFIKYQEXMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(12-5-6-15(19)16(10-12)20-2)17-13-7-9-18-8-3-4-14(13)18/h5-6,10-11,13-14,17,19H,3-4,7-9H2,1-2H3.
What are the key properties of 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol?
4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol has a molecular weight of 276.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 43752358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).