ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate

C15H21NO3 — CID 115628852

IUPACethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1CCOc2ccccc21
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)11(2)16-10-12-8-9-19-14-7-5-4-6-13(12)14/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyBUJKCQCMQIVYDL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds5

About ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate

ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate (PubChem CID 115628852) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
PubChem CID115628852
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1CCOc2ccccc21
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)11(2)16-10-12-8-9-19-14-7-5-4-6-13(12)14/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyBUJKCQCMQIVYDL-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103275857
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
1-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylpentan-3-amine
CID 114177536
5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine
CID 113451444
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate
CID 115882041

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate (CID 115628852) is ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate is CCOC(=O)C(C)NCC1CCOc2ccccc21.
What is the InChIKey of ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate?
The InChIKey is BUJKCQCMQIVYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-15(17)11(2)16-10-12-8-9-19-14-7-5-4-6-13(12)14/h4-7,11-12,16H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate?
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate is sourced from PubChem (CID 115628852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).