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

C12H17NO2 — CID 65315582

IUPAC2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
SMILESOCC(CO)NC1CCc2ccccc21
InChIInChI=1S/C12H17NO2/c14-7-10(8-15)13-12-6-5-9-3-1-2-4-11(9)12/h1-4,10,12-15H,5-8H2
InChIKeyPJEJWARSTYGENB-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.62
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol (PubChem CID 65315582) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
PubChem CID65315582
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
SMILESOCC(CO)NC1CCc2ccccc21
InChIInChI=1S/C12H17NO2/c14-7-10(8-15)13-12-6-5-9-3-1-2-4-11(9)12/h1-4,10,12-15H,5-8H2
InChIKeyPJEJWARSTYGENB-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
CID 115722752
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
CID 122045757
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 104926175
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
CID 65333179
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
CID 107862596

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol (CID 65315582) is 2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol is OCC(CO)NC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol?
The InChIKey is PJEJWARSTYGENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-7-10(8-15)13-12-6-5-9-3-1-2-4-11(9)12/h1-4,10,12-15H,5-8H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol?
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol has a molecular weight of 207.27 g/mol, XLogP of 0.62, 4 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-1-ylamino)propane-1,3-diol is sourced from PubChem (CID 65315582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).