N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine

C23H29NO — CID 6620640

IUPACN-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine
SMILESCc1ccc(C2(CC/N=C/c3ccccc3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H29NO/c1-19-9-11-21(12-10-19)23(14-16-25-22(2,3)18-23)13-15-24-17-20-7-5-4-6-8-20/h4-12,17H,13-16,18H2,1-3H3/b24-17+
InChIKeyZETDSKUJZSVAAR-JJIBRWJFSA-N
MW335.49 g/mol
LogP5.33
Rot. Bonds5

About N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine

N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine (PubChem CID 6620640) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine
PubChem CID6620640
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC NameN-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine
SMILESCc1ccc(C2(CC/N=C/c3ccccc3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H29NO/c1-19-9-11-21(12-10-19)23(14-16-25-22(2,3)18-23)13-15-24-17-20-7-5-4-6-8-20/h4-12,17H,13-16,18H2,1-3H3/b24-17+
InChIKeyZETDSKUJZSVAAR-JJIBRWJFSA-N
XLogP5.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine?
The IUPAC name of N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine (CID 6620640) is N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine?
The canonical SMILES for N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine is Cc1ccc(C2(CC/N=C/c3ccccc3)CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine?
The InChIKey is ZETDSKUJZSVAAR-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H29NO/c1-19-9-11-21(12-10-19)23(14-16-25-22(2,3)18-23)13-15-24-17-20-7-5-4-6-8-20/h4-12,17H,13-16,18H2,1-3H3/b24-17+.
What are the key properties of N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine?
N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine has a molecular weight of 335.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylmethanimine is sourced from PubChem (CID 6620640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).