[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol

C15H20BrNO — CID 98875815

IUPAC[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol
SMILESOC[C@@H]1CCC[C@@H]1N[C@@H]1CCc2c(Br)cccc21
InChIInChI=1S/C15H20BrNO/c16-13-5-2-4-12-11(13)7-8-15(12)17-14-6-1-3-10(14)9-18/h2,4-5,10,14-15,17-18H,1,3,6-9H2/t10-,14-,15+/m0/s1
InChIKeyZXMOQZQELRBDMB-NZVBXONLSA-N
MW310.23 g/mol
LogP3.19
Rot. Bonds3

About [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol

[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol (PubChem CID 98875815) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol
PubChem CID98875815
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol
SMILESOC[C@@H]1CCC[C@@H]1N[C@@H]1CCc2c(Br)cccc21
InChIInChI=1S/C15H20BrNO/c16-13-5-2-4-12-11(13)7-8-15(12)17-14-6-1-3-10(14)9-18/h2,4-5,10,14-15,17-18H,1,3,6-9H2/t10-,14-,15+/m0/s1
InChIKeyZXMOQZQELRBDMB-NZVBXONLSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
CID 113262116
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
[2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]cyclohexyl]methanol
CID 103785054
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
CID 103901793
N-(2-ethylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 115728090
[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclohexyl]methanol
CID 103785029
1-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315
(2S)-2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 102613765
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
4-fluoro-N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 81334417

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol (CID 98875815) is [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol is OC[C@@H]1CCC[C@@H]1N[C@@H]1CCc2c(Br)cccc21.
What is the InChIKey of [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol?
The InChIKey is ZXMOQZQELRBDMB-NZVBXONLSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-5-2-4-12-11(13)7-8-15(12)17-14-6-1-3-10(14)9-18/h2,4-5,10,14-15,17-18H,1,3,6-9H2/t10-,14-,15+/m0/s1.
What are the key properties of [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol?
[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol has a molecular weight of 310.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 98875815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).