2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol

C13H19NO2 — CID 65314706

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19NO2/c15-8-13(9-16)14-7-10-4-5-11-2-1-3-12(11)6-10/h4-6,13-16H,1-3,7-9H2
InChIKeyLXVNBZNTFCWCLH-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.62
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol

2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol (PubChem CID 65314706) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
PubChem CID65314706
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
SMILESOCC(CO)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H19NO2/c15-8-13(9-16)14-7-10-4-5-11-2-1-3-12(11)6-10/h4-6,13-16H,1-3,7-9H2
InChIKeyLXVNBZNTFCWCLH-UHFFFAOYSA-N
XLogP0.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
methyl (2S)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-hydroxypropanoate
CID 139239849
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol
CID 166262814
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
2-(2,3-dihydro-1H-inden-5-ylmethylamino)butanedioic acid
CID 115144370
2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
CID 65315014
2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
CID 75525106
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
CID 122045767
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol (CID 65314706) is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol is OCC(CO)NCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol?
The InChIKey is LXVNBZNTFCWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-8-13(9-16)14-7-10-4-5-11-2-1-3-12(11)6-10/h4-6,13-16H,1-3,7-9H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol?
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol has a molecular weight of 221.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol is sourced from PubChem (CID 65314706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).