N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C15H22N2O — CID 82854063

IUPACN-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCOc1ccccc1NC1CCN2CCCC12
InChIInChI=1S/C15H22N2O/c1-2-18-15-8-4-3-6-13(15)16-12-9-11-17-10-5-7-14(12)17/h3-4,6,8,12,14,16H,2,5,7,9-11H2,1H3
InChIKeyFDSNAWSASARUBO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds4

About N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82854063) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82854063
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCOc1ccccc1NC1CCN2CCCC12
InChIInChI=1S/C15H22N2O/c1-2-18-15-8-4-3-6-13(15)16-12-9-11-17-10-5-7-14(12)17/h3-4,6,8,12,14,16H,2,5,7,9-11H2,1H3
InChIKeyFDSNAWSASARUBO-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853996
N-(3-bromo-2-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 103892794
N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853542
N-(2-pyrrolidin-1-yl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824696
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191712
1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
CID 79459001
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112637279
N-(2,4-difluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853708
2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62157554
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82854063) is N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCOc1ccccc1NC1CCN2CCCC12.
What is the InChIKey of N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is FDSNAWSASARUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-18-15-8-4-3-6-13(15)16-12-9-11-17-10-5-7-14(12)17/h3-4,6,8,12,14,16H,2,5,7,9-11H2,1H3.
What are the key properties of N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82854063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).