(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine

C14H19NO — CID 14494147

IUPAC(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccc(/C=C/C=N/C(C)(C)C)cc1
InChIInChI=1S/C14H19NO/c1-14(2,3)15-11-5-6-12-7-9-13(16-4)10-8-12/h5-11H,1-4H3/b6-5+,15-11+
InChIKeyZGGJBLRFDGXYTP-GCXOIEGYSA-N
MW217.31 g/mol
LogP3.58
Rot. Bonds3

About (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine

(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine (PubChem CID 14494147) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine
PubChem CID14494147
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccc(/C=C/C=N/C(C)(C)C)cc1
InChIInChI=1S/C14H19NO/c1-14(2,3)15-11-5-6-12-7-9-13(16-4)10-8-12/h5-11H,1-4H3/b6-5+,15-11+
InChIKeyZGGJBLRFDGXYTP-GCXOIEGYSA-N
XLogP3.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.58
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

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-[(1E,3E)-4-chlorobuta-1,3-dienyl]-4-methoxybenzene
CID 101396307
methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
CID 90120952
[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea
CID 93084415
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-prop-1-enylbenzene
CID 67322568

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine (CID 14494147) is (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine is COc1ccc(/C=C/C=N/C(C)(C)C)cc1.
What is the InChIKey of (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine?
The InChIKey is ZGGJBLRFDGXYTP-GCXOIEGYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)15-11-5-6-12-7-9-13(16-4)10-8-12/h5-11H,1-4H3/b6-5+,15-11+.
What are the key properties of (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine?
(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine has a molecular weight of 217.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine is sourced from PubChem (CID 14494147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).