N-(4-methoxyphenyl)butan-2-imine

C11H15NO — CID 15683591

IUPACN-(4-methoxyphenyl)butan-2-imine
SMILESCC/C(C)=N/c1ccc(OC)cc1
InChIInChI=1S/C11H15NO/c1-4-9(2)12-10-5-7-11(13-3)8-6-10/h5-8H,4H2,1-3H3/b12-9+
InChIKeyIETHHUAFEIVSQZ-FMIVXFBMSA-N
MW177.25 g/mol
LogP3.20
Rot. Bonds3

About N-(4-methoxyphenyl)butan-2-imine

N-(4-methoxyphenyl)butan-2-imine (PubChem CID 15683591) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(4-methoxyphenyl)butan-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)butan-2-imine
PubChem CID15683591
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(4-methoxyphenyl)butan-2-imine
SMILESCC/C(C)=N/c1ccc(OC)cc1
InChIInChI=1S/C11H15NO/c1-4-9(2)12-10-5-7-11(13-3)8-6-10/h5-8H,4H2,1-3H3/b12-9+
InChIKeyIETHHUAFEIVSQZ-FMIVXFBMSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)propanimidamide
CID 63174454
N-(4-methoxyphenyl)hexan-3-imine
CID 134897334
CID 59037765
CID 59037765
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
(E)-N-(4-methoxyphenyl)pent-3-en-2-imine
CID 134838595
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
methyl 3-(4-ethoxyphenyl)iminobutanoate
CID 90729914
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
methyl 3-methoxy-3-(4-methoxyphenyl)iminopropanoate
CID 10847464
(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
CID 14465614
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)butan-2-imine?
The IUPAC name of N-(4-methoxyphenyl)butan-2-imine (CID 15683591) is N-(4-methoxyphenyl)butan-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)butan-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)butan-2-imine is CC/C(C)=N/c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)butan-2-imine?
The InChIKey is IETHHUAFEIVSQZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-9(2)12-10-5-7-11(13-3)8-6-10/h5-8H,4H2,1-3H3/b12-9+.
What are the key properties of N-(4-methoxyphenyl)butan-2-imine?
N-(4-methoxyphenyl)butan-2-imine has a molecular weight of 177.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)butan-2-imine is sourced from PubChem (CID 15683591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).