2-(4-pyrrolidin-1-ylphenyl)ethanimine

C12H16N2 — CID 162741341

IUPAC2-(4-pyrrolidin-1-ylphenyl)ethanimine
SMILES[H]/N=C/Cc1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H16N2/c13-8-7-11-3-5-12(6-4-11)14-9-1-2-10-14/h3-6,8,13H,1-2,7,9-10H2/b13-8+
InChIKeySXLVGWKWYAHEDZ-MDWZMJQESA-N
MW188.27 g/mol
LogP2.48
Rot. Bonds3

About 2-(4-pyrrolidin-1-ylphenyl)ethanimine

2-(4-pyrrolidin-1-ylphenyl)ethanimine (PubChem CID 162741341) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylphenyl)ethanimine.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylphenyl)ethanimine
PubChem CID162741341
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(4-pyrrolidin-1-ylphenyl)ethanimine
SMILES[H]/N=C/Cc1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H16N2/c13-8-7-11-3-5-12(6-4-11)14-9-1-2-10-14/h3-6,8,13H,1-2,7,9-10H2/b13-8+
InChIKeySXLVGWKWYAHEDZ-MDWZMJQESA-N
XLogP2.48
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine
CID 63180024
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
methyl-[(4-pyrrolidin-1-ylphenyl)methyl]azanium
CID 7064072
N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 43755382
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
1-(4-pentylphenyl)pyrrolidine
CID 168512151
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
CID 117333067
N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
CID 83007159
(4-piperidin-1-ylphenyl)methanesulfonyl chloride
CID 117437268

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)ethanimine?
The IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)ethanimine (CID 162741341) is 2-(4-pyrrolidin-1-ylphenyl)ethanimine.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylphenyl)ethanimine?
The canonical SMILES for 2-(4-pyrrolidin-1-ylphenyl)ethanimine is [H]/N=C/Cc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylphenyl)ethanimine?
The InChIKey is SXLVGWKWYAHEDZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H16N2/c13-8-7-11-3-5-12(6-4-11)14-9-1-2-10-14/h3-6,8,13H,1-2,7,9-10H2/b13-8+.
What are the key properties of 2-(4-pyrrolidin-1-ylphenyl)ethanimine?
2-(4-pyrrolidin-1-ylphenyl)ethanimine has a molecular weight of 188.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylphenyl)ethanimine is sourced from PubChem (CID 162741341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).