N-(2-methoxyphenyl)-3-methylbutan-1-imine

C12H17NO — CID 67735547

IUPACN-(2-methoxyphenyl)-3-methylbutan-1-imine
SMILESCOc1ccccc1/N=C/CC(C)C
InChIInChI=1S/C12H17NO/c1-10(2)8-9-13-11-6-4-5-7-12(11)14-3/h4-7,9-10H,8H2,1-3H3/b13-9+
InChIKeyINFUKFNEZWDMSO-UKTHLTGXSA-N
MW191.27 g/mol
LogP3.44
Rot. Bonds4

About N-(2-methoxyphenyl)-3-methylbutan-1-imine

N-(2-methoxyphenyl)-3-methylbutan-1-imine (PubChem CID 67735547) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-methylbutan-1-imine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-methylbutan-1-imine
PubChem CID67735547
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2-methoxyphenyl)-3-methylbutan-1-imine
SMILESCOc1ccccc1/N=C/CC(C)C
InChIInChI=1S/C12H17NO/c1-10(2)8-9-13-11-6-4-5-7-12(11)14-3/h4-7,9-10H,8H2,1-3H3/b13-9+
InChIKeyINFUKFNEZWDMSO-UKTHLTGXSA-N
XLogP3.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.44
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-(2-methoxyphenyl)undecan-1-imine
CID 135078926
3-methyl-N-phenylbutan-1-imine
CID 14418149
bis(2-methoxyphenyl)diazene
CID 11947
N-(2-methoxyphenyl)-2-(3-methylpyrazin-2-yl)ethanimine
CID 90457489
1-methoxy-2-(sulfinylamino)benzene
CID 598052
1-(2-bromophenyl)-N-(2-methoxyphenyl)methanimine
CID 71359959
2-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)-N-(2-methoxyphenyl)propan-1-imine
CID 90966746
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 135669043
ethyl 2-cyano-3-(2-methoxyphenyl)iminopropanoate
CID 91899555
N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine
CID 611302
(2R)-2-[2-methoxy-6-[(2-methoxyphenyl)iminomethyl]phenoxy]propanoic acid
CID 126243355
CID 174955562
CID 174955562

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-methylbutan-1-imine?
The IUPAC name of N-(2-methoxyphenyl)-3-methylbutan-1-imine (CID 67735547) is N-(2-methoxyphenyl)-3-methylbutan-1-imine.
What is the SMILES notation for N-(2-methoxyphenyl)-3-methylbutan-1-imine?
The canonical SMILES for N-(2-methoxyphenyl)-3-methylbutan-1-imine is COc1ccccc1/N=C/CC(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-3-methylbutan-1-imine?
The InChIKey is INFUKFNEZWDMSO-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)8-9-13-11-6-4-5-7-12(11)14-3/h4-7,9-10H,8H2,1-3H3/b13-9+.
What are the key properties of N-(2-methoxyphenyl)-3-methylbutan-1-imine?
N-(2-methoxyphenyl)-3-methylbutan-1-imine has a molecular weight of 191.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-methylbutan-1-imine is sourced from PubChem (CID 67735547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).