N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine

C14H20N2O — CID 90457832

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine
SMILESCOc1ccccc1CC/N=C/C1CCCN1
InChIInChI=1S/C14H20N2O/c1-17-14-7-3-2-5-12(14)8-10-15-11-13-6-4-9-16-13/h2-3,5,7,11,13,16H,4,6,8-10H2,1H3/b15-11+
InChIKeyWESMDZFNOREPRA-RVDMUPIBSA-N
MW232.33 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine

N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine (PubChem CID 90457832) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine
PubChem CID90457832
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine
SMILESCOc1ccccc1CC/N=C/C1CCCN1
InChIInChI=1S/C14H20N2O/c1-17-14-7-3-2-5-12(14)8-10-15-11-13-6-4-9-16-13/h2-3,5,7,11,13,16H,4,6,8-10H2,1H3/b15-11+
InChIKeyWESMDZFNOREPRA-RVDMUPIBSA-N
XLogP2.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine (CID 90457832) is N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine is COc1ccccc1CC/N=C/C1CCCN1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine?
The InChIKey is WESMDZFNOREPRA-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-14-7-3-2-5-12(14)8-10-15-11-13-6-4-9-16-13/h2-3,5,7,11,13,16H,4,6,8-10H2,1H3/b15-11+.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine?
N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine has a molecular weight of 232.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine is sourced from PubChem (CID 90457832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).