(2-butoxyphenyl)methanimine

C11H15NO — CID 123463204

IUPAC(2-butoxyphenyl)methanimine
SMILES[H]/N=C/c1ccccc1OCCCC
InChIInChI=1S/C11H15NO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,9,12H,2-3,8H2,1H3/b12-9+
InChIKeySTCHPEPEBUKCPW-FMIVXFBMSA-N
MW177.25 g/mol
LogP2.86
Rot. Bonds5

About (2-butoxyphenyl)methanimine

(2-butoxyphenyl)methanimine (PubChem CID 123463204) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2-butoxyphenyl)methanimine.

Molecular Properties

Compound Name(2-butoxyphenyl)methanimine
PubChem CID123463204
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2-butoxyphenyl)methanimine
SMILES[H]/N=C/c1ccccc1OCCCC
InChIInChI=1S/C11H15NO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,9,12H,2-3,8H2,1H3/b12-9+
InChIKeySTCHPEPEBUKCPW-FMIVXFBMSA-N
XLogP2.86
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
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 (2-butoxyphenyl)methanimine?
The IUPAC name of (2-butoxyphenyl)methanimine (CID 123463204) is (2-butoxyphenyl)methanimine.
What is the SMILES notation for (2-butoxyphenyl)methanimine?
The canonical SMILES for (2-butoxyphenyl)methanimine is [H]/N=C/c1ccccc1OCCCC.
What is the InChIKey of (2-butoxyphenyl)methanimine?
The InChIKey is STCHPEPEBUKCPW-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,9,12H,2-3,8H2,1H3/b12-9+.
What are the key properties of (2-butoxyphenyl)methanimine?
(2-butoxyphenyl)methanimine has a molecular weight of 177.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxyphenyl)methanimine is sourced from PubChem (CID 123463204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).