1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol

C18H26N2O2 — CID 22113437

IUPAC1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(NCC(O)COc2cccc3[nH]ccc23)C1
InChIInChI=1S/C18H26N2O2/c1-13-4-2-5-14(10-13)20-11-15(21)12-22-18-7-3-6-17-16(18)8-9-19-17/h3,6-9,13-15,19-21H,2,4-5,10-12H2,1H3
InChIKeyORHWTSJQIGAOKY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.08
Rot. Bonds6

About 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol

1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol (PubChem CID 22113437) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol
PubChem CID22113437
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(NCC(O)COc2cccc3[nH]ccc23)C1
InChIInChI=1S/C18H26N2O2/c1-13-4-2-5-14(10-13)20-11-15(21)12-22-18-7-3-6-17-16(18)8-9-19-17/h3,6-9,13-15,19-21H,2,4-5,10-12H2,1H3
InChIKeyORHWTSJQIGAOKY-UHFFFAOYSA-N
XLogP3.08
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
(E)-but-2-enedioic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 6443036
bis[1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-yl] (Z)-but-2-enedioate
CID 67742525
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 67681123
1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol
CID 64731894
1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
CID 166212862
1-(1H-indol-4-yloxy)-3-(2-propan-2-ylsulfanylbutan-2-ylamino)propan-2-ol
CID 23335526

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol (CID 22113437) is 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol is CC1CCCC(NCC(O)COc2cccc3[nH]ccc23)C1.
What is the InChIKey of 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is ORHWTSJQIGAOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-4-2-5-14(10-13)20-11-15(21)12-22-18-7-3-6-17-16(18)8-9-19-17/h3,6-9,13-15,19-21H,2,4-5,10-12H2,1H3.
What are the key properties of 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol?
1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 302.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 22113437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).