N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine

C12H17NO — CID 5197614

IUPACN-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
SMILESCOc1ccc(/N=C/C(C)(C)C)cc1
InChIInChI=1S/C12H17NO/c1-12(2,3)9-13-10-5-7-11(14-4)8-6-10/h5-9H,1-4H3/b13-9+
InChIKeyMSAMNPKWDUQXJR-UKTHLTGXSA-N
MW191.27 g/mol
LogP3.44
Rot. Bonds2

About N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine

N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine (PubChem CID 5197614) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
PubChem CID5197614
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
SMILESCOc1ccc(/N=C/C(C)(C)C)cc1
InChIInChI=1S/C12H17NO/c1-12(2,3)9-13-10-5-7-11(14-4)8-6-10/h5-9H,1-4H3/b13-9+
InChIKeyMSAMNPKWDUQXJR-UKTHLTGXSA-N
XLogP3.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
CID 584090
N-(4-methoxyphenyl)-2,2,2-triphenylethanimine
CID 10872538
4-(2,2-dimethylpropylideneamino)phenol
CID 131238299
2-(2,2-dimethylpropylideneamino)-5-methoxyphenol
CID 15470269
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine
CID 101383718
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
2-(4-methoxyphenyl)iminoacetate
CID 22600240
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine
CID 10957339
(4-methoxyphenyl)-methyldiazene
CID 20589170

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine?
The IUPAC name of N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine (CID 5197614) is N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine is COc1ccc(/N=C/C(C)(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine?
The InChIKey is MSAMNPKWDUQXJR-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,3)9-13-10-5-7-11(14-4)8-6-10/h5-9H,1-4H3/b13-9+.
What are the key properties of N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine?
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine has a molecular weight of 191.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 5197614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).