ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate

C16H21NO3 — CID 61001856

IUPACethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate
SMILESCCOC(=O)C1(NCC2CC2)CCOc2ccccc21
InChIInChI=1S/C16H21NO3/c1-2-19-15(18)16(17-11-12-7-8-12)9-10-20-14-6-4-3-5-13(14)16/h3-6,12,17H,2,7-11H2,1H3
InChIKeyLKHIUKUZJHPYIE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.23
Rot. Bonds5

About ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate

ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate (PubChem CID 61001856) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate
PubChem CID61001856
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate
SMILESCCOC(=O)C1(NCC2CC2)CCOc2ccccc21
InChIInChI=1S/C16H21NO3/c1-2-19-15(18)16(17-11-12-7-8-12)9-10-20-14-6-4-3-5-13(14)16/h3-6,12,17H,2,7-11H2,1H3
InChIKeyLKHIUKUZJHPYIE-UHFFFAOYSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 54918588
ethyl 4-(cyclopentylamino)-2,3-dihydrochromene-4-carboxylate
CID 60997341
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide
CID 81141952
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 138630636
ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
CID 65235737
ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
CID 64539071
ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524486
1-(cyclopropylmethylamino)-2,3-dihydroindene-1-carboxamide
CID 60996783
4-(2-bromoanilino)-2,3-dihydrochromene-4-carboxamide
CID 61006134
ethyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524499

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate?
The IUPAC name of ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate (CID 61001856) is ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate is CCOC(=O)C1(NCC2CC2)CCOc2ccccc21.
What is the InChIKey of ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate?
The InChIKey is LKHIUKUZJHPYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-19-15(18)16(17-11-12-7-8-12)9-10-20-14-6-4-3-5-13(14)16/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate?
ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylmethylamino)-2,3-dihydrochromene-4-carboxylate is sourced from PubChem (CID 61001856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).