3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol

C13H19NO — CID 105458052

IUPAC3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)NCC1CCc2ccc(O)cc21
InChIInChI=1S/C13H19NO/c1-9(2)14-8-11-4-3-10-5-6-12(15)7-13(10)11/h5-7,9,11,14-15H,3-4,8H2,1-2H3
InChIKeyXOMKLJPSDALRBX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol

3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 105458052) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID105458052
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)NCC1CCc2ccc(O)cc21
InChIInChI=1S/C13H19NO/c1-9(2)14-8-11-4-3-10-5-6-12(15)7-13(10)11/h5-7,9,11,14-15H,3-4,8H2,1-2H3
InChIKeyXOMKLJPSDALRBX-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-2-amine
CID 79248252
1-(methylaminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
CID 71369533
3-(2-aminoethyl)-2,3-dihydro-1H-inden-5-ol
CID 83827747
(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol
CID 96583640
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
5-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105471653
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090967
1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 115010784
methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 68632713
methyl 2-[(1S)-5-hydroxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 59590848
methyl (2S)-2-[(1S)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
CID 59590884

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol (CID 105458052) is 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol is CC(C)NCC1CCc2ccc(O)cc21.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is XOMKLJPSDALRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)14-8-11-4-3-10-5-6-12(15)7-13(10)11/h5-7,9,11,14-15H,3-4,8H2,1-2H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol?
3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 205.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 105458052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).