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

C13H19ClN2O — CID 171262567

IUPAC(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cccc2[nH]ccc12.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-4-12(16)13(14)10-5-3-6-11-9(10)7-8-15-11;/h3,5-8,12-13,15-16H,2,4,14H2,1H3;1H/t12-,13+;/m0./s1
InChIKeyMAQPLTYVASTTID-JHEYCYPBSA-N
MW254.76 g/mol
LogP2.75
Rot. Bonds4

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

(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride (PubChem CID 171262567) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
PubChem CID171262567
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1cccc2[nH]ccc12.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-4-12(16)13(14)10-5-3-6-11-9(10)7-8-15-11;/h3,5-8,12-13,15-16H,2,4,14H2,1H3;1H/t12-,13+;/m0./s1
InChIKeyMAQPLTYVASTTID-JHEYCYPBSA-N
XLogP2.75
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
CID 171268241
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171262573
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
CID 171262554

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride (CID 171262567) is (1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride is CCC[C@H](O)[C@H](N)c1cccc2[nH]ccc12.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride?
The InChIKey is MAQPLTYVASTTID-JHEYCYPBSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-2-4-12(16)13(14)10-5-3-6-11-9(10)7-8-15-11;/h3,5-8,12-13,15-16H,2,4,14H2,1H3;1H/t12-,13+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.75, 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)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171262567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).