(3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol

C13H15NO — CID 10125138

IUPAC(3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESC#CCN(C)[C@H]1CCc2ccc(O)cc21
InChIInChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3/t13-/m0/s1
InChIKeyAXIKLEVFYDZYKE-ZDUSSCGKSA-N
MW201.27 g/mol
LogP1.94
Rot. Bonds2

About (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol

(3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 10125138) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID10125138
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESC#CCN(C)[C@H]1CCc2ccc(O)cc21
InChIInChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3/t13-/m0/s1
InChIKeyAXIKLEVFYDZYKE-ZDUSSCGKSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Nap-226-90
CID 445892
5-Hydroxy-N-Propargyl-1(R)-Aminoindan
CID 5289289
3-(1-Dimethylaminoethyl)phenol
CID 409441
(3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-ol hydrochloride
CID 9837092
1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 10125137
3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 10214459
1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 10236056
(R)-3-Prop-2-ynylamino-indan-5-ol
CID 23644356
3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-ol hydrochloride
CID 23645321
2-(Dipropylamino)-2,3-dihydro-1H-inden-5-ol
CID 12728243
3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 10285846
(2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol
CID 10516818

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol (CID 10125138) is (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol is C#CCN(C)[C@H]1CCc2ccc(O)cc21.
What is the InChIKey of (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is AXIKLEVFYDZYKE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-8-14(2)13-7-5-10-4-6-11(15)9-12(10)13/h1,4,6,9,13,15H,5,7-8H2,2H3/t13-/m0/s1.
What are the key properties of (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol?
(3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 201.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 10125138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).