5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline

C22H19NO3 — CID 170553096

IUPAC5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline
SMILESCOc1ccc(Oc2ccc3c(c2)C=CC(c2ccccc2)O3)c(N)c1
InChIInChI=1S/C22H19NO3/c1-24-17-8-12-22(19(23)14-17)25-18-9-11-21-16(13-18)7-10-20(26-21)15-5-3-2-4-6-15/h2-14,20H,23H2,1H3
InChIKeyYMELZOGWFICHKJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.22
Rot. Bonds4

About 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline

5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline (PubChem CID 170553096) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline.

Molecular Properties

Compound Name5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline
PubChem CID170553096
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline
SMILESCOc1ccc(Oc2ccc3c(c2)C=CC(c2ccccc2)O3)c(N)c1
InChIInChI=1S/C22H19NO3/c1-24-17-8-12-22(19(23)14-17)25-18-9-11-21-16(13-18)7-10-20(26-21)15-5-3-2-4-6-15/h2-14,20H,23H2,1H3
InChIKeyYMELZOGWFICHKJ-UHFFFAOYSA-N
XLogP5.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethoxy-2-phenyl-2H-chromene
CID 10635591
(2S)-6-chloro-2-phenyl-2H-chromene
CID 53236519
(2S)-6-fluoro-2-phenyl-2H-chromene
CID 102138705
5-methoxy-2-(3-phenylmethoxyphenoxy)aniline
CID 166611417
4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697
(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene
CID 141004210
5-methoxy-2-(1-phenylethoxy)aniline
CID 62058742
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 115372664
5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375214
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
CID 107708398

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline?
The IUPAC name of 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline (CID 170553096) is 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline.
What is the SMILES notation for 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline?
The canonical SMILES for 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline is COc1ccc(Oc2ccc3c(c2)C=CC(c2ccccc2)O3)c(N)c1.
What is the InChIKey of 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline?
The InChIKey is YMELZOGWFICHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-24-17-8-12-22(19(23)14-17)25-18-9-11-21-16(13-18)7-10-20(26-21)15-5-3-2-4-6-15/h2-14,20H,23H2,1H3.
What are the key properties of 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline?
5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline has a molecular weight of 345.40 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-phenyl-2H-chromen-6-yl)oxy]aniline is sourced from PubChem (CID 170553096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).