(2-butylphenyl)methanimine

C11H15N — CID 143221510

IUPAC(2-butylphenyl)methanimine
SMILES[H]/N=C/c1ccccc1CCCC
InChIInChI=1S/C11H15N/c1-2-3-6-10-7-4-5-8-11(10)9-12/h4-5,7-9,12H,2-3,6H2,1H3/b12-9+
InChIKeyDAKHDVSNKHZMGH-FMIVXFBMSA-N
MW161.25 g/mol
LogP3.03
Rot. Bonds4

About (2-butylphenyl)methanimine

(2-butylphenyl)methanimine (PubChem CID 143221510) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2-butylphenyl)methanimine.

Molecular Properties

Compound Name(2-butylphenyl)methanimine
PubChem CID143221510
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2-butylphenyl)methanimine
SMILES[H]/N=C/c1ccccc1CCCC
InChIInChI=1S/C11H15N/c1-2-3-6-10-7-4-5-8-11(10)9-12/h4-5,7-9,12H,2-3,6H2,1H3/b12-9+
InChIKeyDAKHDVSNKHZMGH-FMIVXFBMSA-N
XLogP3.03
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylphenyl)methanimine
CID 58827978
2-butylbenzaldehyde;1-butyl-2-methylbenzene
CID 88505905
2-butylbenzaldehyde;terephthalaldehyde
CID 174801051
2-[4-(4-butylphenyl)butyl]benzaldehyde
CID 19847933
1-butyl-2-(2,2-dibromoethenyl)benzene
CID 141180413
CID 159940559
CID 159940559
1-ethenyl-2-pentylbenzene
CID 22171756
1-butyl-2-prop-2-enylbenzene
CID 18786435
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
[2-[(Z)-but-1-enyl]phenyl]methanimine
CID 130239187

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)methanimine?
The IUPAC name of (2-butylphenyl)methanimine (CID 143221510) is (2-butylphenyl)methanimine.
What is the SMILES notation for (2-butylphenyl)methanimine?
The canonical SMILES for (2-butylphenyl)methanimine is [H]/N=C/c1ccccc1CCCC.
What is the InChIKey of (2-butylphenyl)methanimine?
The InChIKey is DAKHDVSNKHZMGH-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15N/c1-2-3-6-10-7-4-5-8-11(10)9-12/h4-5,7-9,12H,2-3,6H2,1H3/b12-9+.
What are the key properties of (2-butylphenyl)methanimine?
(2-butylphenyl)methanimine has a molecular weight of 161.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)methanimine is sourced from PubChem (CID 143221510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).