3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol

C12H17NO2 — CID 168593617

IUPAC3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1cccc2c1CCC2
InChIInChI=1S/C12H17NO2/c14-8-10(15)7-13-12-6-2-4-9-3-1-5-11(9)12/h2,4,6,10,13-15H,1,3,5,7-8H2
InChIKeyHGYZSHLCHUNBDP-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.94
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol

3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol (PubChem CID 168593617) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
PubChem CID168593617
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1cccc2c1CCC2
InChIInChI=1S/C12H17NO2/c14-8-10(15)7-13-12-6-2-4-9-3-1-5-11(9)12/h2,4,6,10,13-15H,1,3,5,7-8H2
InChIKeyHGYZSHLCHUNBDP-UHFFFAOYSA-N
XLogP0.94
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114265228
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 117068983
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
5-(2,3-dihydroxypropylamino)-2,4-dihydro-1H-isoquinolin-3-one
CID 168594667
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
3,3,3-trifluoro-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]propanenitrile
CID 103366909
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol (CID 168593617) is 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol is OCC(O)CNc1cccc2c1CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol?
The InChIKey is HGYZSHLCHUNBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-10(15)7-13-12-6-2-4-9-3-1-5-11(9)12/h2,4,6,10,13-15H,1,3,5,7-8H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol?
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol has a molecular weight of 207.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol is sourced from PubChem (CID 168593617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).