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

C18H20N2O — CID 45486628

IUPAC(1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol
SMILESCc1cn([C@@H](c2ccccc2)[C@@H](O)CN)c2ccccc12
InChIInChI=1S/C18H20N2O/c1-13-12-20(16-10-6-5-9-15(13)16)18(17(21)11-19)14-7-3-2-4-8-14/h2-10,12,17-18,21H,11,19H2,1H3/t17-,18-/m0/s1
InChIKeySNORKSVJXFFHHB-ROUUACIJSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds4

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

(1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol (PubChem CID 45486628) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol
PubChem CID45486628
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol
SMILESCc1cn([C@@H](c2ccccc2)[C@@H](O)CN)c2ccccc12
InChIInChI=1S/C18H20N2O/c1-13-12-20(16-10-6-5-9-15(13)16)18(17(21)11-19)14-7-3-2-4-8-14/h2-10,12,17-18,21H,11,19H2,1H3/t17-,18-/m0/s1
InChIKeySNORKSVJXFFHHB-ROUUACIJSA-N
XLogP2.86
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
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-(3-methylindol-1-yl)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol (CID 45486628) is (1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol is Cc1cn([C@@H](c2ccccc2)[C@@H](O)CN)c2ccccc12.
What is the InChIKey of (1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol?
The InChIKey is SNORKSVJXFFHHB-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-12-20(16-10-6-5-9-15(13)16)18(17(21)11-19)14-7-3-2-4-8-14/h2-10,12,17-18,21H,11,19H2,1H3/t17-,18-/m0/s1.
What are the key properties of (1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol?
(1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 2.86, 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-(3-methylindol-1-yl)-1-phenylpropan-2-ol is sourced from PubChem (CID 45486628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).