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

C25H34N2O2 — CID 3747032

IUPAC4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline
SMILESCOc1ccccc1C1(CC/N=C/c2ccc(N(C)C)cc2)CCOC(C)(C)C1
InChIInChI=1S/C25H34N2O2/c1-24(2)19-25(15-17-29-24,22-8-6-7-9-23(22)28-5)14-16-26-18-20-10-12-21(13-11-20)27(3)4/h6-13,18H,14-17,19H2,1-5H3/b26-18+
InChIKeyGCWPPPWWCMIUBJ-NLRVBDNBSA-N
MW394.56 g/mol
LogP5.10
Rot. Bonds7

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

4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline (PubChem CID 3747032) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline
PubChem CID3747032
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline
SMILESCOc1ccccc1C1(CC/N=C/c2ccc(N(C)C)cc2)CCOC(C)(C)C1
InChIInChI=1S/C25H34N2O2/c1-24(2)19-25(15-17-29-24,22-8-6-7-9-23(22)28-5)14-16-26-18-20-10-12-21(13-11-20)27(3)4/h6-13,18H,14-17,19H2,1-5H3/b26-18+
InChIKeyGCWPPPWWCMIUBJ-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline (CID 3747032) is 4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline is COc1ccccc1C1(CC/N=C/c2ccc(N(C)C)cc2)CCOC(C)(C)C1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline?
The InChIKey is GCWPPPWWCMIUBJ-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-24(2)19-25(15-17-29-24,22-8-6-7-9-23(22)28-5)14-16-26-18-20-10-12-21(13-11-20)27(3)4/h6-13,18H,14-17,19H2,1-5H3/b26-18+.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline?
4-[2-[4-(2-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-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyliminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 3747032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).