(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol

C13H18N2O2 — CID 178146609

IUPAC(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol
SMILESCN[C@H](CO)Cn1ccc2cc(OC)ccc21
InChIInChI=1S/C13H18N2O2/c1-14-11(9-16)8-15-6-5-10-7-12(17-2)3-4-13(10)15/h3-7,11,14,16H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyNKXQDMYHPXBNTF-NSHDSACASA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds5

About (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol

(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol (PubChem CID 178146609) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol
PubChem CID178146609
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol
SMILESCN[C@H](CO)Cn1ccc2cc(OC)ccc21
InChIInChI=1S/C13H18N2O2/c1-14-11(9-16)8-15-6-5-10-7-12(17-2)3-4-13(10)15/h3-7,11,14,16H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyNKXQDMYHPXBNTF-NSHDSACASA-N
XLogP1.23
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
(2R)-2-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762038
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398
1-(5-methoxyindol-1-yl)propan-2-yl methanesulfonate
CID 10684389
3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine
CID 103366538
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
5-methoxy-1-prop-2-ynylindole
CID 45091362

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol (CID 178146609) is (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol is CN[C@H](CO)Cn1ccc2cc(OC)ccc21.
What is the InChIKey of (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol?
The InChIKey is NKXQDMYHPXBNTF-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-11(9-16)8-15-6-5-10-7-12(17-2)3-4-13(10)15/h3-7,11,14,16H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol?
(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 178146609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).