(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride

C14H21ClN2O — CID 171262623

IUPAC(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
SMILESCCCC[C@H](O)[C@H](N)c1ccc2cc[nH]c2c1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-2-3-4-13(17)14(15)11-6-5-10-7-8-16-12(10)9-11;/h5-9,13-14,16-17H,2-4,15H2,1H3;1H/t13-,14+;/m0./s1
InChIKeyLKTQKDQWBPYCHN-LMRHVHIWSA-N
MW268.79 g/mol
LogP3.14
Rot. Bonds5

About (1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride (PubChem CID 171262623) 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-6-yl)hexan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
PubChem CID171262623
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
SMILESCCCC[C@H](O)[C@H](N)c1ccc2cc[nH]c2c1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-2-3-4-13(17)14(15)11-6-5-10-7-8-16-12(10)9-11;/h5-9,13-14,16-17H,2-4,15H2,1H3;1H/t13-,14+;/m0./s1
InChIKeyLKTQKDQWBPYCHN-LMRHVHIWSA-N
XLogP3.14
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171268293
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(1S)-1-(1H-indol-6-yl)pentan-1-amine
CID 171225173
(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
CID 171268278
4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride
CID 171267478
(1S,2R)-1-amino-1-(4-iodophenyl)hexan-2-ol;hydrochloride
CID 171267629
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride (CID 171262623) is (1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride is CCCC[C@H](O)[C@H](N)c1ccc2cc[nH]c2c1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride?
The InChIKey is LKTQKDQWBPYCHN-LMRHVHIWSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-2-3-4-13(17)14(15)11-6-5-10-7-8-16-12(10)9-11;/h5-9,13-14,16-17H,2-4,15H2,1H3;1H/t13-,14+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 3.14, 5 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-6-yl)hexan-2-ol;hydrochloride is sourced from PubChem (CID 171262623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).