1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride

C12H17ClN2O — CID 20994507

IUPAC1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCN1c1ccccc1OCC
InChIInChI=1S/C12H16N2O.ClH/c1-2-15-11-7-4-3-6-10(11)14-9-5-8-12(14)13;/h3-4,6-7,13H,2,5,8-9H2,1H3;1H/b13-12+;
InChIKeyYTXWOUBFEIOBTD-UEIGIMKUSA-N
MW240.73 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride

1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride (PubChem CID 20994507) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride
PubChem CID20994507
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCN1c1ccccc1OCC
InChIInChI=1S/C12H16N2O.ClH/c1-2-15-11-7-4-3-6-10(11)14-9-5-8-12(14)13;/h3-4,6-7,13H,2,5,8-9H2,1H3;1H/b13-12+;
InChIKeyYTXWOUBFEIOBTD-UEIGIMKUSA-N
XLogP3.08
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline
CID 63670067
1-(2,4-difluorophenyl)pyrrolidin-2-imine
CID 4007146
1-(2-ethoxyphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64957042
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
1-[4-bromo-2-(trifluoromethoxy)phenyl]piperidin-2-imine
CID 103193483
1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline
CID 133059523
(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1182440
1-(2,4-dibromophenyl)pyrrolidin-2-imine
CID 61474511
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 30691880
1-(2-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 88724658

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride?
The IUPAC name of 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride (CID 20994507) is 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride.
What is the SMILES notation for 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride?
The canonical SMILES for 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride is Cl.[H]/N=C1\CCCN1c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride?
The InChIKey is YTXWOUBFEIOBTD-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-2-15-11-7-4-3-6-10(11)14-9-5-8-12(14)13;/h3-4,6-7,13H,2,5,8-9H2,1H3;1H/b13-12+;.
What are the key properties of 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride?
1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride is sourced from PubChem (CID 20994507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).