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

C12H16N2O2 — CID 178146613

IUPAC(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
SMILESCOc1ccc2c(ccn2C[C@H](N)CO)c1
InChIInChI=1S/C12H16N2O2/c1-16-11-2-3-12-9(6-11)4-5-14(12)7-10(13)8-15/h2-6,10,15H,7-8,13H2,1H3/t10-/m0/s1
InChIKeyIXYYYUFVDOOLNB-JTQLQIEISA-N
MW220.27 g/mol
LogP0.97
Rot. Bonds4

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

(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol (PubChem CID 178146613) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
PubChem CID178146613
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
SMILESCOc1ccc2c(ccn2C[C@H](N)CO)c1
InChIInChI=1S/C12H16N2O2/c1-16-11-2-3-12-9(6-11)4-5-14(12)7-10(13)8-15/h2-6,10,15H,7-8,13H2,1H3/t10-/m0/s1
InChIKeyIXYYYUFVDOOLNB-JTQLQIEISA-N
XLogP0.97
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol
CID 178146609
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine
CID 103366538
(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
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
1-(5-methoxyindol-1-yl)propan-2-yl methanesulfonate
CID 10684389
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
5-methoxy-1-prop-2-ynylindole
CID 45091362
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol (CID 178146613) is (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol is COc1ccc2c(ccn2C[C@H](N)CO)c1.
What is the InChIKey of (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol?
The InChIKey is IXYYYUFVDOOLNB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11-2-3-12-9(6-11)4-5-14(12)7-10(13)8-15/h2-6,10,15H,7-8,13H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol?
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol is sourced from PubChem (CID 178146613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).