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'}

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

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

Launch Full Analysis

Related Compounds

4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]aniline
CID 14011462
2-methoxy-2-methyl-3,4-dihydrochromene
CID 15054836
6-(4-isocyanatophenoxy)-2,2-dimethyl-3,4-dihydrochromene
CID 88509714
6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693
CID 68879023
CID 68879023
4-(4-aminophenoxy)aniline
CID 161415647
6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 89318567
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
2,2-difluoro-3,4-dihydrochromen-6-amine
CID 105441454
2,2-diethoxy-6-methoxy-3,4-dihydrochromene
CID 131862776
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060

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).