4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine

C11H14BrN — CID 63272138

IUPAC4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(Br)cccc21
InChIInChI=1S/C11H14BrN/c1-2-13-11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11,13H,2,6-7H2,1H3
InChIKeyQBLSNXLYQLSOLP-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.05
Rot. Bonds2

About 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine

4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63272138) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63272138
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(Br)cccc21
InChIInChI=1S/C11H14BrN/c1-2-13-11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11,13H,2,6-7H2,1H3
InChIKeyQBLSNXLYQLSOLP-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846495
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
(1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol
CID 97110413
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-(furan-2-yl)ethanol
CID 75471523
4-bromo-N-[(3-methylpyrazolidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 134068437
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 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine (CID 63272138) is 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine is CCNC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QBLSNXLYQLSOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-2-13-11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11,13H,2,6-7H2,1H3.
What are the key properties of 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63272138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).