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

C14H21ClN2O — CID 171262561

IUPAC(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
SMILESCC(C)(C)[C@H](O)[C@H](N)c1cccc2[nH]ccc12.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-14(2,3)13(17)12(15)10-5-4-6-11-9(10)7-8-16-11;/h4-8,12-13,16-17H,15H2,1-3H3;1H/t12-,13-;/m1./s1
InChIKeyJHIJSKHGLNULCF-OJERSXHUSA-N
MW268.79 g/mol
LogP3.00
Rot. Bonds2

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

(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride (PubChem CID 171262561) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
PubChem CID171262561
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
SMILESCC(C)(C)[C@H](O)[C@H](N)c1cccc2[nH]ccc12.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-14(2,3)13(17)12(15)10-5-4-6-11-9(10)7-8-16-11;/h4-8,12-13,16-17H,15H2,1-3H3;1H/t12-,13-;/m1./s1
InChIKeyJHIJSKHGLNULCF-OJERSXHUSA-N
XLogP3.00
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567
(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
(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol
CID 131399130
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171262573
(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
CID 171268241
(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
CID 171262554
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride (CID 171262561) is (1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride is CC(C)(C)[C@H](O)[C@H](N)c1cccc2[nH]ccc12.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride?
The InChIKey is JHIJSKHGLNULCF-OJERSXHUSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-14(2,3)13(17)12(15)10-5-4-6-11-9(10)7-8-16-11;/h4-8,12-13,16-17H,15H2,1-3H3;1H/t12-,13-;/m1./s1.
What are the key properties of (1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 3.00, 2 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)-3,3-dimethylbutan-2-ol;hydrochloride is sourced from PubChem (CID 171262561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).