(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol

C14H20N2O — CID 171268241

IUPAC(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
SMILESCCCC[C@@H](O)[C@@H](N)c1cccc2[nH]ccc12
InChIInChI=1S/C14H20N2O/c1-2-3-7-13(17)14(15)11-5-4-6-12-10(11)8-9-16-12/h4-6,8-9,13-14,16-17H,2-3,7,15H2,1H3/t13-,14+/m1/s1
InChIKeyGGUGSVMNACUHID-KGLIPLIRSA-N
MW232.33 g/mol
LogP2.72
Rot. Bonds5

About (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol

(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol (PubChem CID 171268241) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
PubChem CID171268241
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
SMILESCCCC[C@@H](O)[C@@H](N)c1cccc2[nH]ccc12
InChIInChI=1S/C14H20N2O/c1-2-3-7-13(17)14(15)11-5-4-6-12-10(11)8-9-16-12/h4-6,8-9,13-14,16-17H,2-3,7,15H2,1H3/t13-,14+/m1/s1
InChIKeyGGUGSVMNACUHID-KGLIPLIRSA-N
XLogP2.72
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171262573
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
4-octan-2-yl-1H-indole
CID 130223302
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
CID 171267207
(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
(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
CID 171205537

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol (CID 171268241) is (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol is CCCC[C@@H](O)[C@@H](N)c1cccc2[nH]ccc12.
What is the InChIKey of (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol?
The InChIKey is GGUGSVMNACUHID-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-7-13(17)14(15)11-5-4-6-12-10(11)8-9-16-12/h4-6,8-9,13-14,16-17H,2-3,7,15H2,1H3/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol?
(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol has a molecular weight of 232.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol is sourced from PubChem (CID 171268241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).