1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine

C18H20N2 — CID 23766843

IUPAC1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine
SMILESCc1cc(/C=N/c2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C18H20N2/c1-15-13-16(14-19-17-7-3-2-4-8-17)9-10-18(15)20-11-5-6-12-20/h2-4,7-10,13-14H,5-6,11-12H2,1H3/b19-14+
InChIKeyPOIZXSYVLIWCIX-XMHGGMMESA-N
MW264.37 g/mol
LogP4.35
Rot. Bonds3

About 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine

1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine (PubChem CID 23766843) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine
PubChem CID23766843
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine
SMILESCc1cc(/C=N/c2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C18H20N2/c1-15-13-16(14-19-17-7-3-2-4-8-17)9-10-18(15)20-11-5-6-12-20/h2-4,7-10,13-14H,5-6,11-12H2,1H3/b19-14+
InChIKeyPOIZXSYVLIWCIX-XMHGGMMESA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine (CID 23766843) is 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine is Cc1cc(/C=N/c2ccccc2)ccc1N1CCCC1.
What is the InChIKey of 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine?
The InChIKey is POIZXSYVLIWCIX-XMHGGMMESA-N. The full InChI is InChI=1S/C18H20N2/c1-15-13-16(14-19-17-7-3-2-4-8-17)9-10-18(15)20-11-5-6-12-20/h2-4,7-10,13-14H,5-6,11-12H2,1H3/b19-14+.
What are the key properties of 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine?
1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine has a molecular weight of 264.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine is sourced from PubChem (CID 23766843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).