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

C24H33NO2 — CID 53388524

IUPAC3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline
SMILESCOc1cccc(NCCC2(c3ccccc3)CC(C)(C)OC(C)(C)C2)c1
InChIInChI=1S/C24H33NO2/c1-22(2)17-24(18-23(3,4)27-22,19-10-7-6-8-11-19)14-15-25-20-12-9-13-21(16-20)26-5/h6-13,16,25H,14-15,17-18H2,1-5H3
InChIKeyAGLCGCXQQDBYKJ-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.80
Rot. Bonds6

About 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline

3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline (PubChem CID 53388524) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline
PubChem CID53388524
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline
SMILESCOc1cccc(NCCC2(c3ccccc3)CC(C)(C)OC(C)(C)C2)c1
InChIInChI=1S/C24H33NO2/c1-22(2)17-24(18-23(3,4)27-22,19-10-7-6-8-11-19)14-15-25-20-12-9-13-21(16-20)26-5/h6-13,16,25H,14-15,17-18H2,1-5H3
InChIKeyAGLCGCXQQDBYKJ-UHFFFAOYSA-N
XLogP5.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline?
The IUPAC name of 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline (CID 53388524) is 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline.
What is the SMILES notation for 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline?
The canonical SMILES for 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline is COc1cccc(NCCC2(c3ccccc3)CC(C)(C)OC(C)(C)C2)c1.
What is the InChIKey of 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline?
The InChIKey is AGLCGCXQQDBYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-22(2)17-24(18-23(3,4)27-22,19-10-7-6-8-11-19)14-15-25-20-12-9-13-21(16-20)26-5/h6-13,16,25H,14-15,17-18H2,1-5H3.
What are the key properties of 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline?
3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline has a molecular weight of 367.53 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2,2,6,6-tetramethyl-4-phenyloxan-4-yl)ethyl]aniline is sourced from PubChem (CID 53388524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).