6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol

C13H16BrNO — CID 117453234

IUPAC6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
SMILESNCC1(c2cc3c(c(Br)c2O)CCC3)CC1
InChIInChI=1S/C13H16BrNO/c14-11-9-3-1-2-8(9)6-10(12(11)16)13(7-15)4-5-13/h6,16H,1-5,7,15H2
InChIKeyAMTUGNGXXMZWPA-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.63
Rot. Bonds2

About 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol

6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol (PubChem CID 117453234) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
PubChem CID117453234
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
SMILESNCC1(c2cc3c(c(Br)c2O)CCC3)CC1
InChIInChI=1S/C13H16BrNO/c14-11-9-3-1-2-8(9)6-10(12(11)16)13(7-15)4-5-13/h6,16H,1-5,7,15H2
InChIKeyAMTUGNGXXMZWPA-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117477283
[1-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117495126
1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid
CID 117495973
[1-(7-bromo-2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanamine
CID 117449610
3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117477347
[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]methanamine
CID 117293731
3-amino-1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 117456967
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
CID 171560787
6-[1-(aminomethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-ol
CID 117338492
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
4-bromo-2-[(hydroxyamino)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117460807

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol (CID 117453234) is 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol is NCC1(c2cc3c(c(Br)c2O)CCC3)CC1.
What is the InChIKey of 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol?
The InChIKey is AMTUGNGXXMZWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-9-3-1-2-8(9)6-10(12(11)16)13(7-15)4-5-13/h6,16H,1-5,7,15H2.
What are the key properties of 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol?
6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol has a molecular weight of 282.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 117453234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).