1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol

C17H27NO — CID 106023518

IUPAC1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol
SMILESCCCCC(CCC)NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H27NO/c1-3-5-7-14(6-4-2)18-17-11-8-13-12-15(19)9-10-16(13)17/h9-10,12,14,17-19H,3-8,11H2,1-2H3
InChIKeyUHJAZLYOBBKAPY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.33
Rot. Bonds7

About 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol

1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 106023518) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID106023518
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol
SMILESCCCCC(CCC)NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H27NO/c1-3-5-7-14(6-4-2)18-17-11-8-13-12-15(19)9-10-16(13)17/h9-10,12,14,17-19H,3-8,11H2,1-2H3
InChIKeyUHJAZLYOBBKAPY-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114138079
4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106023724
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107862522
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734

Frequently Asked Questions

What is the IUPAC name of 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol (CID 106023518) is 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol is CCCCC(CCC)NC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is UHJAZLYOBBKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-7-14(6-4-2)18-17-11-8-13-12-15(19)9-10-16(13)17/h9-10,12,14,17-19H,3-8,11H2,1-2H3.
What are the key properties of 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol?
1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 261.41 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 106023518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).