1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol

C19H22N2O2 — CID 11645255

IUPAC1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)n1ccc2c(OC)cccc21
InChIInChI=1S/C19H22N2O2/c1-20-13-17(22)19(14-7-4-3-5-8-14)21-12-11-15-16(21)9-6-10-18(15)23-2/h3-12,17,19-20,22H,13H2,1-2H3
InChIKeyIULRARABZNERLD-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.82
Rot. Bonds6

About 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol

1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 11645255) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID11645255
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)n1ccc2c(OC)cccc21
InChIInChI=1S/C19H22N2O2/c1-20-13-17(22)19(14-7-4-3-5-8-14)21-12-11-15-16(21)9-6-10-18(15)23-2/h3-12,17,19-20,22H,13H2,1-2H3
InChIKeyIULRARABZNERLD-UHFFFAOYSA-N
XLogP2.82
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-3-(methylamino)-1-phenyl-1-(4-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69456550
(1S,2R)-1-(4-aminoindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 89197356
(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 68906230
(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 68904895
(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45486630
1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(4-methylindol-1-yl)propan-2-ol
CID 45483063
1-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-ol
CID 69159022
(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 45483087
(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
CID 68906029
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
(1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol
CID 58837428

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol (CID 11645255) is 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol is CNCC(O)C(c1ccccc1)n1ccc2c(OC)cccc21.
What is the InChIKey of 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is IULRARABZNERLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-13-17(22)19(14-7-4-3-5-8-14)21-12-11-15-16(21)9-6-10-18(15)23-2/h3-12,17,19-20,22H,13H2,1-2H3.
What are the key properties of 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 11645255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).