(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride

C17H19ClN2O — CID 171262573

IUPAC(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1cccc2[nH]ccc12)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C17H18N2O.ClH/c18-17(16(20)11-12-5-2-1-3-6-12)14-7-4-8-15-13(14)9-10-19-15;/h1-10,16-17,19-20H,11,18H2;1H/t16-,17+;/m0./s1
InChIKeyGDLNIPYEHJTJST-MCJVGQIASA-N
MW302.81 g/mol
LogP3.19
Rot. Bonds4

About (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171262573) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171262573
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1cccc2[nH]ccc12)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C17H18N2O.ClH/c18-17(16(20)11-12-5-2-1-3-6-12)14-7-4-8-15-13(14)9-10-19-15;/h1-10,16-17,19-20H,11,18H2;1H/t16-,17+;/m0./s1
InChIKeyGDLNIPYEHJTJST-MCJVGQIASA-N
XLogP3.19
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
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(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
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2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
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2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
CID 171268024

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride (CID 171262573) is (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride is Cl.N[C@H](c1cccc2[nH]ccc12)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is GDLNIPYEHJTJST-MCJVGQIASA-N. The full InChI is InChI=1S/C17H18N2O.ClH/c18-17(16(20)11-12-5-2-1-3-6-12)14-7-4-8-15-13(14)9-10-19-15;/h1-10,16-17,19-20H,11,18H2;1H/t16-,17+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171262573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).