methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate

C13H16BrNO2 — CID 103917115

IUPACmethyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
SMILESCOC(=O)CCNC1CCc2c(Br)cccc21
InChIInChI=1S/C13H16BrNO2/c1-17-13(16)7-8-15-12-6-5-9-10(12)3-2-4-11(9)14/h2-4,12,15H,5-8H2,1H3
InChIKeyZREUFAJQHJDSIB-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.59
Rot. Bonds4

About methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate

methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate (PubChem CID 103917115) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
PubChem CID103917115
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Namemethyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
SMILESCOC(=O)CCNC1CCc2c(Br)cccc21
InChIInChI=1S/C13H16BrNO2/c1-17-13(16)7-8-15-12-6-5-9-10(12)3-2-4-11(9)14/h2-4,12,15H,5-8H2,1H3
InChIKeyZREUFAJQHJDSIB-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43637145
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103846439
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
CID 131278593
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 103910257
4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123661

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The IUPAC name of methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate (CID 103917115) is methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate is COC(=O)CCNC1CCc2c(Br)cccc21.
What is the InChIKey of methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The InChIKey is ZREUFAJQHJDSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-17-13(16)7-8-15-12-6-5-9-10(12)3-2-4-11(9)14/h2-4,12,15H,5-8H2,1H3.
What are the key properties of methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate has a molecular weight of 298.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate is sourced from PubChem (CID 103917115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).