1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol

C22H26N2O2 — CID 155171662

IUPAC1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
SMILESCc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C2CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-5-7-17(8-6-16)13-24(18-9-10-18)14-19(25)15-26-22-4-2-3-21-20(22)11-12-23-21/h2-8,11-12,18-19,23,25H,9-10,13-15H2,1H3
InChIKeyRLTFAUZPPGNWJB-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.88
Rot. Bonds8

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

1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 155171662) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
PubChem CID155171662
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
SMILESCc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C2CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-5-7-17(8-6-16)13-24(18-9-10-18)14-19(25)15-26-22-4-2-3-21-20(22)11-12-23-21/h2-8,11-12,18-19,23,25H,9-10,13-15H2,1H3
InChIKeyRLTFAUZPPGNWJB-UHFFFAOYSA-N
XLogP3.88
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
1-[tert-butyl-[[4-(dimethylamino)phenyl]methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 162664102
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007609
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099
1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
CID 166212862
(2S)-1-(1H-indol-4-yloxy)-3-[morpholin-4-yl(propyl)amino]propan-2-ol
CID 67664959
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-(1H-indol-4-yloxy)-3-[(3-methylcyclohexyl)amino]propan-2-ol
CID 22113437
(2R)-1-[cyclopropyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93116154
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol (CID 155171662) is 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol is Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol?
The InChIKey is RLTFAUZPPGNWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-5-7-17(8-6-16)13-24(18-9-10-18)14-19(25)15-26-22-4-2-3-21-20(22)11-12-23-21/h2-8,11-12,18-19,23,25H,9-10,13-15H2,1H3.
What are the key properties of 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol?
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 350.46 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 155171662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).