1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol

C16H23NO2 — CID 103874821

IUPAC1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCC1CCCC(O)C1
InChIInChI=1S/C16H23NO2/c18-12-4-1-3-11(9-12)10-17-15-8-7-14-13(15)5-2-6-16(14)19/h2,5-6,11-12,15,17-19H,1,3-4,7-10H2
InChIKeyOXUZDDZZRUBJSH-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.52
Rot. Bonds3

About 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol

1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 103874821) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID103874821
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCC1CCCC(O)C1
InChIInChI=1S/C16H23NO2/c18-12-4-1-3-11(9-12)10-17-15-8-7-14-13(15)5-2-6-16(14)19/h2,5-6,11-12,15,17-19H,1,3-4,7-10H2
InChIKeyOXUZDDZZRUBJSH-UHFFFAOYSA-N
XLogP2.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115869693
1-(2-cyclohexylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 54931966
3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 103785901
1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 63822385
1-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol
CID 114146218
1-(cyclopentyloxyamino)-2,3-dihydro-1H-inden-4-ol
CID 83228932
3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol
CID 103271312
3-[[(2-cyclopropylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103739382
1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 103874821) is 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2NCC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is OXUZDDZZRUBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-12-4-1-3-11(9-12)10-17-15-8-7-14-13(15)5-2-6-16(14)19/h2,5-6,11-12,15,17-19H,1,3-4,7-10H2.
What are the key properties of 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 261.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 103874821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).