6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol

C14H19NO — CID 105471605

IUPAC6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
SMILESNC1(CCc2cc3c(cc2O)CCC3)CC1
InChIInChI=1S/C14H19NO/c15-14(6-7-14)5-4-12-8-10-2-1-3-11(10)9-13(12)16/h8-9,16H,1-7,15H2
InChIKeyADNSSXKJNLKRLI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.30
Rot. Bonds3

About 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol

6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 105471605) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID105471605
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
SMILESNC1(CCc2cc3c(cc2O)CCC3)CC1
InChIInChI=1S/C14H19NO/c15-14(6-7-14)5-4-12-8-10-2-1-3-11(10)9-13(12)16/h8-9,16H,1-7,15H2
InChIKeyADNSSXKJNLKRLI-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-5-ol
CID 117277759
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
2-[2-(1-aminocyclopropyl)ethyl]-5-fluorophenol
CID 105448984
3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313250
2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
CID 105496630
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039
2,3-dihydro-1H-indene-5,6-diol
CID 13058959
4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
CID 105482966
1-[2-(5,6-dihydro-4H-cyclopenta[b]furan-2-yl)ethyl]cyclopropan-1-amine
CID 105445477
6-(1-aminocyclopentyl)-2,3-dihydro-1H-inden-5-ol
CID 117309765
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol (CID 105471605) is 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol is NC1(CCc2cc3c(cc2O)CCC3)CC1.
What is the InChIKey of 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is ADNSSXKJNLKRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-14(6-7-14)5-4-12-8-10-2-1-3-11(10)9-13(12)16/h8-9,16H,1-7,15H2.
What are the key properties of 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol?
6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 217.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 105471605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).