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

C14H18BrNO — CID 117477283

IUPAC6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
SMILESCC(N)C1(c2cc3c(c(Br)c2O)CCC3)CC1
InChIInChI=1S/C14H18BrNO/c1-8(16)14(5-6-14)11-7-9-3-2-4-10(9)12(15)13(11)17/h7-8,17H,2-6,16H2,1H3
InChIKeySJDNTPUSSOOODP-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.02
Rot. Bonds2

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

6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol (PubChem CID 117477283) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
PubChem CID117477283
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
SMILESCC(N)C1(c2cc3c(c(Br)c2O)CCC3)CC1
InChIInChI=1S/C14H18BrNO/c1-8(16)14(5-6-14)11-7-9-3-2-4-10(9)12(15)13(11)17/h7-8,17H,2-6,16H2,1H3
InChIKeySJDNTPUSSOOODP-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117453234
1-[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanamine
CID 117312920
1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid
CID 117495973
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-ol
CID 171560787
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
CID 117366115
2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol
CID 117457295
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
CID 117352069
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117477347
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol (CID 117477283) is 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol is CC(N)C1(c2cc3c(c(Br)c2O)CCC3)CC1.
What is the InChIKey of 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol?
The InChIKey is SJDNTPUSSOOODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-8(16)14(5-6-14)11-7-9-3-2-4-10(9)12(15)13(11)17/h7-8,17H,2-6,16H2,1H3.
What are the key properties of 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol?
6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol has a molecular weight of 296.21 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 117477283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).