1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide

C11H16BrNO — CID 71369533

IUPAC1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
SMILESBr.CNCC1CCc2cc(O)ccc21
InChIInChI=1S/C11H15NO.BrH/c1-12-7-9-3-2-8-6-10(13)4-5-11(8)9;/h4-6,9,12-13H,2-3,7H2,1H3;1H
InChIKeyWJCMEWXAVTZKSF-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.22
Rot. Bonds2

About 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide

1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide (PubChem CID 71369533) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide.

Molecular Properties

Compound Name1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
PubChem CID71369533
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
SMILESBr.CNCC1CCc2cc(O)ccc21
InChIInChI=1S/C11H15NO.BrH/c1-12-7-9-3-2-8-6-10(13)4-5-11(8)9;/h4-6,9,12-13H,2-3,7H2,1H3;1H
InChIKeyWJCMEWXAVTZKSF-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 105458052
2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 45098204
5-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105471653
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
2-(methylaminomethyl)-1,2,3,4-tetrahydroquinolin-6-ol
CID 105446256
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67867674
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165
1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 105493140
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57301570

Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide?
The IUPAC name of 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide (CID 71369533) is 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide.
What is the SMILES notation for 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide?
The canonical SMILES for 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide is Br.CNCC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide?
The InChIKey is WJCMEWXAVTZKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.BrH/c1-12-7-9-3-2-8-6-10(13)4-5-11(8)9;/h4-6,9,12-13H,2-3,7H2,1H3;1H.
What are the key properties of 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide?
1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide has a molecular weight of 258.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide is sourced from PubChem (CID 71369533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).