3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline

C23H31NO3 — CID 53388355

IUPAC3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline
SMILESCOc1ccc(C2(CCNc3cccc(OC)c3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H31NO3/c1-22(2)17-23(13-15-27-22,18-8-10-20(25-3)11-9-18)12-14-24-19-6-5-7-21(16-19)26-4/h5-11,16,24H,12-15,17H2,1-4H3
InChIKeyGWTRFVYGSRAMHU-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.03
Rot. Bonds7

About 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline

3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline (PubChem CID 53388355) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline
PubChem CID53388355
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline
SMILESCOc1ccc(C2(CCNc3cccc(OC)c3)CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H31NO3/c1-22(2)17-23(13-15-27-22,18-8-10-20(25-3)11-9-18)12-14-24-19-6-5-7-21(16-19)26-4/h5-11,16,24H,12-15,17H2,1-4H3
InChIKeyGWTRFVYGSRAMHU-UHFFFAOYSA-N
XLogP5.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline?
The IUPAC name of 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline (CID 53388355) is 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline.
What is the SMILES notation for 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline?
The canonical SMILES for 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline is COc1ccc(C2(CCNc3cccc(OC)c3)CCOC(C)(C)C2)cc1.
What is the InChIKey of 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline?
The InChIKey is GWTRFVYGSRAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-22(2)17-23(13-15-27-22,18-8-10-20(25-3)11-9-18)12-14-24-19-6-5-7-21(16-19)26-4/h5-11,16,24H,12-15,17H2,1-4H3.
What are the key properties of 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline?
3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline has a molecular weight of 369.51 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]aniline is sourced from PubChem (CID 53388355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).