2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol

C12H16ClNO — CID 21150325

IUPAC2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol
SMILESCN(CCO)C1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H16ClNO/c1-14(4-5-15)12-7-9-2-3-11(13)6-10(9)8-12/h2-3,6,12,15H,4-5,7-8H2,1H3
InChIKeyIZCFYYZWEIDHPK-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.73
Rot. Bonds3

About 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol

2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol (PubChem CID 21150325) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol
PubChem CID21150325
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol
SMILESCN(CCO)C1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H16ClNO/c1-14(4-5-15)12-7-9-2-3-11(13)6-10(9)8-12/h2-3,6,12,15H,4-5,7-8H2,1H3
InChIKeyIZCFYYZWEIDHPK-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol (CID 21150325) is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol is CN(CCO)C1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol?
The InChIKey is IZCFYYZWEIDHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-14(4-5-15)12-7-9-2-3-11(13)6-10(9)8-12/h2-3,6,12,15H,4-5,7-8H2,1H3.
What are the key properties of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol?
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol has a molecular weight of 225.72 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]ethanol is sourced from PubChem (CID 21150325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).