N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine

C14H20N2O — CID 118868161

IUPACN-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine
SMILESCOc1c(C)cccc1/N=C(\C)N1CCCC1
InChIInChI=1S/C14H20N2O/c1-11-7-6-8-13(14(11)17-3)15-12(2)16-9-4-5-10-16/h6-8H,4-5,9-10H2,1-3H3/b15-12+
InChIKeyNPWDOYSYSGWDPG-NTCAYCPXSA-N
MW232.33 g/mol
LogP3.15
Rot. Bonds2

About N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine

N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine (PubChem CID 118868161) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound NameN-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine
PubChem CID118868161
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine
SMILESCOc1c(C)cccc1/N=C(\C)N1CCCC1
InChIInChI=1S/C14H20N2O/c1-11-7-6-8-13(14(11)17-3)15-12(2)16-9-4-5-10-16/h6-8H,4-5,9-10H2,1-3H3/b15-12+
InChIKeyNPWDOYSYSGWDPG-NTCAYCPXSA-N
XLogP3.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine?
The IUPAC name of N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine (CID 118868161) is N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine is COc1c(C)cccc1/N=C(\C)N1CCCC1.
What is the InChIKey of N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine?
The InChIKey is NPWDOYSYSGWDPG-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-7-6-8-13(14(11)17-3)15-12(2)16-9-4-5-10-16/h6-8H,4-5,9-10H2,1-3H3/b15-12+.
What are the key properties of N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine?
N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine has a molecular weight of 232.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 118868161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).