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

C19H22N2O — CID 45486600

IUPAC(1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol
SMILESCCNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C19H22N2O/c1-2-20-14-18(22)19(16-9-4-3-5-10-16)21-13-12-15-8-6-7-11-17(15)21/h3-13,18-20,22H,2,14H2,1H3/t18-,19-/m0/s1
InChIKeyKSVISHYLWAYQCI-OALUTQOASA-N
MW294.40 g/mol
LogP3.20
Rot. Bonds6

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

(1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol (PubChem CID 45486600) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol
PubChem CID45486600
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol
SMILESCCNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C19H22N2O/c1-2-20-14-18(22)19(16-9-4-3-5-10-16)21-13-12-15-8-6-7-11-17(15)21/h3-13,18-20,22H,2,14H2,1H3/t18-,19-/m0/s1
InChIKeyKSVISHYLWAYQCI-OALUTQOASA-N
XLogP3.20
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol?
The IUPAC name of (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol (CID 45486600) is (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol is CCNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol?
The InChIKey is KSVISHYLWAYQCI-OALUTQOASA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-20-14-18(22)19(16-9-4-3-5-10-16)21-13-12-15-8-6-7-11-17(15)21/h3-13,18-20,22H,2,14H2,1H3/t18-,19-/m0/s1.
What are the key properties of (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol?
(1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol has a molecular weight of 294.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-(ethylamino)-1-indol-1-yl-1-phenylpropan-2-ol is sourced from PubChem (CID 45486600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).