N-(4-butoxyphenyl)-1-phenylmethanimine

C17H19NO — CID 3026795

IUPACN-(4-butoxyphenyl)-1-phenylmethanimine
SMILESCCCCOc1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-3-13-19-17-11-9-16(10-12-17)18-14-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3/b18-14+
InChIKeyJNOUDZUXGFCRJH-NBVRZTHBSA-N
MW253.35 g/mol
LogP4.62
Rot. Bonds6

About N-(4-butoxyphenyl)-1-phenylmethanimine

N-(4-butoxyphenyl)-1-phenylmethanimine (PubChem CID 3026795) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-1-phenylmethanimine
PubChem CID3026795
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-(4-butoxyphenyl)-1-phenylmethanimine
SMILESCCCCOc1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-3-13-19-17-11-9-16(10-12-17)18-14-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3/b18-14+
InChIKeyJNOUDZUXGFCRJH-NBVRZTHBSA-N
XLogP4.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-1-phenylmethanimine?
The IUPAC name of N-(4-butoxyphenyl)-1-phenylmethanimine (CID 3026795) is N-(4-butoxyphenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(4-butoxyphenyl)-1-phenylmethanimine?
The canonical SMILES for N-(4-butoxyphenyl)-1-phenylmethanimine is CCCCOc1ccc(/N=C/c2ccccc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-1-phenylmethanimine?
The InChIKey is JNOUDZUXGFCRJH-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-13-19-17-11-9-16(10-12-17)18-14-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3/b18-14+.
What are the key properties of N-(4-butoxyphenyl)-1-phenylmethanimine?
N-(4-butoxyphenyl)-1-phenylmethanimine has a molecular weight of 253.35 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-1-phenylmethanimine is sourced from PubChem (CID 3026795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).