4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline

C25H34N2O2 — CID 4526920

IUPAC4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline
SMILESCOc1ccc(C2(CC/N=C/c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C25H34N2O2/c1-24(2)19-25(15-17-29-24,21-8-12-23(28-5)13-9-21)14-16-26-18-20-6-10-22(11-7-20)27(3)4/h6-13,18H,14-17,19H2,1-5H3/b26-18+
InChIKeyFIVMSMFFNOEBKL-NLRVBDNBSA-N
MW394.56 g/mol
LogP5.10
Rot. Bonds7

About 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline

4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline (PubChem CID 4526920) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline
PubChem CID4526920
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline
SMILESCOc1ccc(C2(CC/N=C/c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C25H34N2O2/c1-24(2)19-25(15-17-29-24,21-8-12-23(28-5)13-9-21)14-16-26-18-20-6-10-22(11-7-20)27(3)4/h6-13,18H,14-17,19H2,1-5H3/b26-18+
InChIKeyFIVMSMFFNOEBKL-NLRVBDNBSA-N
XLogP5.10
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
N-(4-(Dimethylamino)benzylidene)-P-phenetidine
CID 139942
(E)-N-(4-Methylphenyl)-1-[4-(nonyloxy)phenyl]methanimine
CID 298710
(4-Octyloxy-benzylidene)-P-tolyl-amine
CID 298713
p-Decyloxybenzylidene p-toluidine
CID 143087
4-[(E)-({2-[4-(2-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]ethyl}imino)methyl]-N,N-dimethylaniline
CID 3747032
8-Methoxy-2-(4-methylphenyl)-3,4-dihydroisoquinolin-2-ium bromide
CID 134154820
p-Methoxybenzylidene p-biphenylamine
CID 141218
p-Heptyloxybenzylidene p-heptylaniline
CID 142377
Benzenamine, N-[(4-butoxyphenyl)methylene]-4-pentyl-
CID 123488
p-Pentyloxybenzylidene p-hexylaniline
CID 142373

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline (CID 4526920) is 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline is COc1ccc(C2(CC/N=C/c3ccc(N(C)C)cc3)CCOC(C)(C)C2)cc1.
What is the InChIKey of 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline?
The InChIKey is FIVMSMFFNOEBKL-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-24(2)19-25(15-17-29-24,21-8-12-23(28-5)13-9-21)14-16-26-18-20-6-10-22(11-7-20)27(3)4/h6-13,18H,14-17,19H2,1-5H3/b26-18+.
What are the key properties of 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline?
4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline has a molecular weight of 394.56 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 4526920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).