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

C13H18BrNO — CID 115927474

IUPAC2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC1CCc2c(Br)cccc21
InChIInChI=1S/C13H18BrNO/c1-13(2,8-16)15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,12,15-16H,6-8H2,1-2H3
InChIKeyFFSAMDUIIJLWJR-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.80
Rot. Bonds3

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

2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol (PubChem CID 115927474) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
PubChem CID115927474
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC1CCc2c(Br)cccc21
InChIInChI=1S/C13H18BrNO/c1-13(2,8-16)15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,12,15-16H,6-8H2,1-2H3
InChIKeyFFSAMDUIIJLWJR-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol
CID 98875815
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 103846488
(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
CID 129411438
(1S)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
CID 129411437
2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
CID 120591629
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
CID 103721645
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol (CID 115927474) is 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)NC1CCc2c(Br)cccc21.
What is the InChIKey of 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol?
The InChIKey is FFSAMDUIIJLWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-13(2,8-16)15-12-7-6-9-10(12)4-3-5-11(9)14/h3-5,12,15-16H,6-8H2,1-2H3.
What are the key properties of 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol?
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115927474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).