1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine

C22H28N2O2 — CID 67897520

IUPAC1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
SMILESCCCOc1ccccc1/C=N/CC/N=C/c1ccccc1OCCC
InChIInChI=1S/C22H28N2O2/c1-3-15-25-21-11-7-5-9-19(21)17-23-13-14-24-18-20-10-6-8-12-22(20)26-16-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3/b23-17+,24-18+
InChIKeyFHNJCLZSJZZRLN-GJHDBBOXSA-N
MW352.48 g/mol
LogP4.80
Rot. Bonds11

About 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine

1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine (PubChem CID 67897520) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
PubChem CID67897520
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
SMILESCCCOc1ccccc1/C=N/CC/N=C/c1ccccc1OCCC
InChIInChI=1S/C22H28N2O2/c1-3-15-25-21-11-7-5-9-19(21)17-23-13-14-24-18-20-10-6-8-12-22(20)26-16-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3/b23-17+,24-18+
InChIKeyFHNJCLZSJZZRLN-GJHDBBOXSA-N
XLogP4.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine
CID 162436192
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-pentylmethanimine
CID 135188620
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine
CID 110338518
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine (CID 67897520) is 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine is CCCOc1ccccc1/C=N/CC/N=C/c1ccccc1OCCC.
What is the InChIKey of 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine?
The InChIKey is FHNJCLZSJZZRLN-GJHDBBOXSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-15-25-21-11-7-5-9-19(21)17-23-13-14-24-18-20-10-6-8-12-22(20)26-16-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3/b23-17+,24-18+.
What are the key properties of 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine?
1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine has a molecular weight of 352.48 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 67897520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).