[2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol

C17H20N2O — CID 15807945

IUPAC[2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol
SMILESCN[C@@H]1Cc2ccccc2[C@H]1Nc1ccccc1CO
InChIInChI=1S/C17H20N2O/c1-18-16-10-12-6-2-4-8-14(12)17(16)19-15-9-5-3-7-13(15)11-20/h2-9,16-20H,10-11H2,1H3/t16-,17-/m1/s1
InChIKeyOCGLHLMTOGXQRS-IAGOWNOFSA-N
MW268.36 g/mol
LogP2.48
Rot. Bonds4

About [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol

[2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol (PubChem CID 15807945) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol
PubChem CID15807945
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol
SMILESCN[C@@H]1Cc2ccccc2[C@H]1Nc1ccccc1CO
InChIInChI=1S/C17H20N2O/c1-18-16-10-12-6-2-4-8-14(12)17(16)19-15-9-5-3-7-13(15)11-20/h2-9,16-20H,10-11H2,1H3/t16-,17-/m1/s1
InChIKeyOCGLHLMTOGXQRS-IAGOWNOFSA-N
XLogP2.48
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol?
The IUPAC name of [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol (CID 15807945) is [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol.
What is the SMILES notation for [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol?
The canonical SMILES for [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol is CN[C@@H]1Cc2ccccc2[C@H]1Nc1ccccc1CO.
What is the InChIKey of [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol?
The InChIKey is OCGLHLMTOGXQRS-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-16-10-12-6-2-4-8-14(12)17(16)19-15-9-5-3-7-13(15)11-20/h2-9,16-20H,10-11H2,1H3/t16-,17-/m1/s1.
What are the key properties of [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol?
[2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol has a molecular weight of 268.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R,2R)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]amino]phenyl]methanol is sourced from PubChem (CID 15807945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).