1-[1-(methylamino)ethyl]-3H-inden-5-ol

C12H15NO — CID 105443743

IUPAC1-[1-(methylamino)ethyl]-3H-inden-5-ol
SMILESCNC(C)C1=CCc2cc(O)ccc21
InChIInChI=1S/C12H15NO/c1-8(13-2)11-5-3-9-7-10(14)4-6-12(9)11/h4-8,13-14H,3H2,1-2H3
InChIKeyRSODBGMPGIWAAP-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.94
Rot. Bonds2

About 1-[1-(methylamino)ethyl]-3H-inden-5-ol

1-[1-(methylamino)ethyl]-3H-inden-5-ol (PubChem CID 105443743) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[1-(methylamino)ethyl]-3H-inden-5-ol.

Molecular Properties

Compound Name1-[1-(methylamino)ethyl]-3H-inden-5-ol
PubChem CID105443743
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[1-(methylamino)ethyl]-3H-inden-5-ol
SMILESCNC(C)C1=CCc2cc(O)ccc21
InChIInChI=1S/C12H15NO/c1-8(13-2)11-5-3-9-7-10(14)4-6-12(9)11/h4-8,13-14H,3H2,1-2H3
InChIKeyRSODBGMPGIWAAP-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylaminomethyl)-3H-inden-5-ol
CID 105436179
3-(1-aminopropan-2-yl)-1H-inden-5-ol
CID 105443791
2-(5-methyl-3H-inden-1-yl)propanoic acid
CID 105454291
6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol
CID 105455603
1-(ethynylamino)-3H-inden-5-ol
CID 142005767
2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol
CID 117195329
4-methoxy-3-[1-(methylamino)ethyl]phenol
CID 84732356
3H-inden-1-ol;tris(propan-2-ol);titanium
CID 10338320
2,2-bis(6-hydroxy-3H-inden-1-yl)acetonitrile;propanenitrile
CID 67584119
2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
CID 117195301
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
ethane;1-(3H-inden-1-yl)ethanol;methane
CID 159608364

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)ethyl]-3H-inden-5-ol?
The IUPAC name of 1-[1-(methylamino)ethyl]-3H-inden-5-ol (CID 105443743) is 1-[1-(methylamino)ethyl]-3H-inden-5-ol.
What is the SMILES notation for 1-[1-(methylamino)ethyl]-3H-inden-5-ol?
The canonical SMILES for 1-[1-(methylamino)ethyl]-3H-inden-5-ol is CNC(C)C1=CCc2cc(O)ccc21.
What is the InChIKey of 1-[1-(methylamino)ethyl]-3H-inden-5-ol?
The InChIKey is RSODBGMPGIWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(13-2)11-5-3-9-7-10(14)4-6-12(9)11/h4-8,13-14H,3H2,1-2H3.
What are the key properties of 1-[1-(methylamino)ethyl]-3H-inden-5-ol?
1-[1-(methylamino)ethyl]-3H-inden-5-ol has a molecular weight of 189.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)ethyl]-3H-inden-5-ol is sourced from PubChem (CID 105443743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).