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

C17H19NO — CID 158891075

IUPACN-(2-methoxyphenyl)-4-phenylbutan-2-imine
SMILESCOc1ccccc1/N=C(\C)CCc1ccccc1
InChIInChI=1S/C17H19NO/c1-14(12-13-15-8-4-3-5-9-15)18-16-10-6-7-11-17(16)19-2/h3-11H,12-13H2,1-2H3/b18-14+
InChIKeyFWBAALXZJNGXAR-NBVRZTHBSA-N
MW253.34 g/mol
LogP4.42
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-phenylbutan-2-imine (PubChem CID 158891075) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-phenylbutan-2-imine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-phenylbutan-2-imine
PubChem CID158891075
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(2-methoxyphenyl)-4-phenylbutan-2-imine
SMILESCOc1ccccc1/N=C(\C)CCc1ccccc1
InChIInChI=1S/C17H19NO/c1-14(12-13-15-8-4-3-5-9-15)18-16-10-6-7-11-17(16)19-2/h3-11H,12-13H2,1-2H3/b18-14+
InChIKeyFWBAALXZJNGXAR-NBVRZTHBSA-N
XLogP4.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.42
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-naphthalen-1-yl-4-phenylbutan-2-imine
CID 157374253
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
CID 135072310
1-(furan-2-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
CID 90457693
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
bis(2-methoxyphenyl)diazene
CID 11947
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
1-(2-methoxy-6-sulfanylphenyl)-3-phenylpropan-1-one
CID 67135833
ethyl [(E)-4-phenylbutan-2-ylideneamino] carbonate
CID 15527889
N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
CID 89164600
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-phenylbutan-2-imine?
The IUPAC name of N-(2-methoxyphenyl)-4-phenylbutan-2-imine (CID 158891075) is N-(2-methoxyphenyl)-4-phenylbutan-2-imine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-phenylbutan-2-imine?
The canonical SMILES for N-(2-methoxyphenyl)-4-phenylbutan-2-imine is COc1ccccc1/N=C(\C)CCc1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-phenylbutan-2-imine?
The InChIKey is FWBAALXZJNGXAR-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(12-13-15-8-4-3-5-9-15)18-16-10-6-7-11-17(16)19-2/h3-11H,12-13H2,1-2H3/b18-14+.
What are the key properties of N-(2-methoxyphenyl)-4-phenylbutan-2-imine?
N-(2-methoxyphenyl)-4-phenylbutan-2-imine has a molecular weight of 253.34 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-phenylbutan-2-imine is sourced from PubChem (CID 158891075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).