N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine

C23H29NO2 — CID 15998000

IUPACN-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine
SMILESCOc1ccccc1C1(CC/N=C/c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C23H29NO2/c1-22(2)18-23(14-16-26-22,20-11-7-8-12-21(20)25-3)13-15-24-17-19-9-5-4-6-10-19/h4-12,17H,13-16,18H2,1-3H3/b24-17+
InChIKeyOHMZOEVPWWALIC-JJIBRWJFSA-N
MW351.49 g/mol
LogP5.03
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine

N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine (PubChem CID 15998000) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine
PubChem CID15998000
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine
SMILESCOc1ccccc1C1(CC/N=C/c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C23H29NO2/c1-22(2)18-23(14-16-26-22,20-11-7-8-12-21(20)25-3)13-15-24-17-19-9-5-4-6-10-19/h4-12,17H,13-16,18H2,1-3H3/b24-17+
InChIKeyOHMZOEVPWWALIC-JJIBRWJFSA-N
XLogP5.03
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine (CID 15998000) is N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine is COc1ccccc1C1(CC/N=C/c2ccccc2)CCOC(C)(C)C1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine?
The InChIKey is OHMZOEVPWWALIC-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H29NO2/c1-22(2)18-23(14-16-26-22,20-11-7-8-12-21(20)25-3)13-15-24-17-19-9-5-4-6-10-19/h4-12,17H,13-16,18H2,1-3H3/b24-17+.
What are the key properties of N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine?
N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine has a molecular weight of 351.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine is sourced from PubChem (CID 15998000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).