(1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol

C17H18N2O — CID 45486602

IUPAC(1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol
SMILESNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C17H18N2O/c18-12-16(20)17(14-7-2-1-3-8-14)19-11-10-13-6-4-5-9-15(13)19/h1-11,16-17,20H,12,18H2/t16-,17-/m0/s1
InChIKeyWEJSAYIWQUSTPZ-IRXDYDNUSA-N
MW266.34 g/mol
LogP2.55
Rot. Bonds4

About (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol

(1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol (PubChem CID 45486602) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol
PubChem CID45486602
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol
SMILESNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C17H18N2O/c18-12-16(20)17(14-7-2-1-3-8-14)19-11-10-13-6-4-5-9-15(13)19/h1-11,16-17,20H,12,18H2/t16-,17-/m0/s1
InChIKeyWEJSAYIWQUSTPZ-IRXDYDNUSA-N
XLogP2.55
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol?
The IUPAC name of (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol (CID 45486602) is (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol is NC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol?
The InChIKey is WEJSAYIWQUSTPZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H18N2O/c18-12-16(20)17(14-7-2-1-3-8-14)19-11-10-13-6-4-5-9-15(13)19/h1-11,16-17,20H,12,18H2/t16-,17-/m0/s1.
What are the key properties of (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol?
(1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-amino-1-indol-1-yl-1-phenylpropan-2-ol is sourced from PubChem (CID 45486602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).