methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate

C14H19NO3 — CID 113422738

IUPACmethyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
SMILESCOC(=O)CC1(CN)c2ccccc2OCC1C
InChIInChI=1S/C14H19NO3/c1-10-8-18-12-6-4-3-5-11(12)14(10,9-15)7-13(16)17-2/h3-6,10H,7-9,15H2,1-2H3
InChIKeyOYMMLEFVPSNXIF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate

methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate (PubChem CID 113422738) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
PubChem CID113422738
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
SMILESCOC(=O)CC1(CN)c2ccccc2OCC1C
InChIInChI=1S/C14H19NO3/c1-10-8-18-12-6-4-3-5-11(12)14(10,9-15)7-13(16)17-2/h3-6,10H,7-9,15H2,1-2H3
InChIKeyOYMMLEFVPSNXIF-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 104524790
methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate
CID 138979814
ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524486
methyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524498
ethyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524499
2-[3-methyl-4-(propylamino)-2,3-dihydrochromen-4-yl]acetic acid
CID 104524864
2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 113422733
[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524708
4-[acetyl(ethyl)amino]-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524520
[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524707
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 104524932

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate?
The IUPAC name of methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate (CID 113422738) is methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate.
What is the SMILES notation for methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate?
The canonical SMILES for methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate is COC(=O)CC1(CN)c2ccccc2OCC1C.
What is the InChIKey of methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate?
The InChIKey is OYMMLEFVPSNXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-8-18-12-6-4-3-5-11(12)14(10,9-15)7-13(16)17-2/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate?
methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate is sourced from PubChem (CID 113422738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).