1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol

C10H12BrNO — CID 57419481

IUPAC1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol
SMILESNCC1(O)CCc2cc(Br)ccc21
InChIInChI=1S/C10H12BrNO/c11-8-1-2-9-7(5-8)3-4-10(9,13)6-12/h1-2,5,13H,3-4,6,12H2
InChIKeyRZJKEXLZOYPNSM-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.54
Rot. Bonds1

About 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol

1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol (PubChem CID 57419481) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol
PubChem CID57419481
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol
SMILESNCC1(O)CCc2cc(Br)ccc21
InChIInChI=1S/C10H12BrNO/c11-8-1-2-9-7(5-8)3-4-10(9,13)6-12/h1-2,5,13H,3-4,6,12H2
InChIKeyRZJKEXLZOYPNSM-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 14348695
1-(aminomethyl)-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 55268800
1-(aminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 83906486
1-Amino-2-(4-bromophenyl)butan-2-ol
CID 62772606
(S)-1-Amino-2-(5-bromo-2-fluoro-phenyl)-propan-2-ol
CID 66666122
1-Amino-2-(5-bromo-2-fluorophenyl)propan-2-ol
CID 66666123
5-Bromo-1-(trifluoromethyl)-1-indanol
CID 81696549
(1R)-5-bromo-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 122530571
1-[Amino(ethoxy)methyl]-5-bromo-4-fluoro-2,3-dihydroinden-1-ol
CID 146634290
(1R)-1-(aminomethyl)-6-fluoro-2,3-dihydroinden-1-ol
CID 28294251
(1S)-1-(aminomethyl)-6-fluoro-2,3-dihydroinden-1-ol
CID 28294254
(1R)-1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 28294293

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol (CID 57419481) is 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol is NCC1(O)CCc2cc(Br)ccc21.
What is the InChIKey of 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol?
The InChIKey is RZJKEXLZOYPNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-1-2-9-7(5-8)3-4-10(9,13)6-12/h1-2,5,13H,3-4,6,12H2.
What are the key properties of 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol?
1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol has a molecular weight of 242.12 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol is sourced from PubChem (CID 57419481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).