methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate

C13H17NO3 — CID 82046154

IUPACmethyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate
SMILESCOC(=O)C1(N)CCOc2c1ccc(C)c2C
InChIInChI=1S/C13H17NO3/c1-8-4-5-10-11(9(8)2)17-7-6-13(10,14)12(15)16-3/h4-5H,6-7,14H2,1-3H3
InChIKeyMYAOVQAOUDMCOW-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.41
Rot. Bonds1

About methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate

methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate (PubChem CID 82046154) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate
PubChem CID82046154
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate
SMILESCOC(=O)C1(N)CCOc2c1ccc(C)c2C
InChIInChI=1S/C13H17NO3/c1-8-4-5-10-11(9(8)2)17-7-6-13(10,14)12(15)16-3/h4-5H,6-7,14H2,1-3H3
InChIKeyMYAOVQAOUDMCOW-UHFFFAOYSA-N
XLogP1.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate
CID 82046178
methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate
CID 82046164
methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate
CID 82046162
methyl 4-amino-6-bromo-8-fluoro-2,3-dihydrochromene-4-carboxylate
CID 82046170
4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol
CID 82077489
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 70928517
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
methyl 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylate
CID 83906472
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82250689

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate?
The IUPAC name of methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate (CID 82046154) is methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate.
What is the SMILES notation for methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate?
The canonical SMILES for methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate is COC(=O)C1(N)CCOc2c1ccc(C)c2C.
What is the InChIKey of methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate?
The InChIKey is MYAOVQAOUDMCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-4-5-10-11(9(8)2)17-7-6-13(10,14)12(15)16-3/h4-5H,6-7,14H2,1-3H3.
What are the key properties of methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate?
methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate is sourced from PubChem (CID 82046154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).