4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline

C17H19NO3 — CID 14307273

IUPAC4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline
SMILESCOC1(C)CCc2cc(Oc3ccc(N)cc3)ccc2O1
InChIInChI=1S/C17H19NO3/c1-17(19-2)10-9-12-11-15(7-8-16(12)21-17)20-14-5-3-13(18)4-6-14/h3-8,11H,9-10,18H2,1-2H3
InChIKeyVREMMRMKLDROCQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.75
Rot. Bonds3

About 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline

4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline (PubChem CID 14307273) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline.

Molecular Properties

Compound Name4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline
PubChem CID14307273
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline
SMILESCOC1(C)CCc2cc(Oc3ccc(N)cc3)ccc2O1
InChIInChI=1S/C17H19NO3/c1-17(19-2)10-9-12-11-15(7-8-16(12)21-17)20-14-5-3-13(18)4-6-14/h3-8,11H,9-10,18H2,1-2H3
InChIKeyVREMMRMKLDROCQ-UHFFFAOYSA-N
XLogP3.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline?
The IUPAC name of 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline (CID 14307273) is 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline.
What is the SMILES notation for 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline?
The canonical SMILES for 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline is COC1(C)CCc2cc(Oc3ccc(N)cc3)ccc2O1.
What is the InChIKey of 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline?
The InChIKey is VREMMRMKLDROCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(19-2)10-9-12-11-15(7-8-16(12)21-17)20-14-5-3-13(18)4-6-14/h3-8,11H,9-10,18H2,1-2H3.
What are the key properties of 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline?
4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline has a molecular weight of 285.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-methyl-3,4-dihydrochromen-6-yl)oxy]aniline is sourced from PubChem (CID 14307273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).