N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline

C23H31NO — CID 53388523

IUPACN-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline
SMILESCC1(C)CC(CCNc2ccccc2)(c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C23H31NO/c1-21(2)17-23(18-22(3,4)25-21,19-11-7-5-8-12-19)15-16-24-20-13-9-6-10-14-20/h5-14,24H,15-18H2,1-4H3
InChIKeyZLFMQBZRZIATAG-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.79
Rot. Bonds5

About N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline

N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline (PubChem CID 53388523) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline
PubChem CID53388523
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline
SMILESCC1(C)CC(CCNc2ccccc2)(c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C23H31NO/c1-21(2)17-23(18-22(3,4)25-21,19-11-7-5-8-12-19)15-16-24-20-13-9-6-10-14-20/h5-14,24H,15-18H2,1-4H3
InChIKeyZLFMQBZRZIATAG-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline?
The IUPAC name of N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline (CID 53388523) is N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline?
The canonical SMILES for N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline is CC1(C)CC(CCNc2ccccc2)(c2ccccc2)CC(C)(C)O1.
What is the InChIKey of N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline?
The InChIKey is ZLFMQBZRZIATAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-21(2)17-23(18-22(3,4)25-21,19-11-7-5-8-12-19)15-16-24-20-13-9-6-10-14-20/h5-14,24H,15-18H2,1-4H3.
What are the key properties of N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline?
N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline has a molecular weight of 337.51 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline is sourced from PubChem (CID 53388523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).