4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride

C14H24ClNO4 — CID 171263081

IUPAC4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCCCC[C@H](O)[C@H](N)c1c(OC)cc(O)cc1OC.Cl
InChIInChI=1S/C14H23NO4.ClH/c1-4-5-6-10(17)14(15)13-11(18-2)7-9(16)8-12(13)19-3;/h7-8,10,14,16-17H,4-6,15H2,1-3H3;1H/t10-,14-;/m0./s1
InChIKeyGKVBJOCMXGKUME-LPJGFKLNSA-N
MW305.80 g/mol
LogP2.38
Rot. Bonds7

About 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride

4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride (PubChem CID 171263081) has the molecular formula C14H24ClNO4 and a molecular weight of 305.80 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride
PubChem CID171263081
Molecular FormulaC14H24ClNO4
Molecular Weight305.80 g/mol
Exact Mass305.14
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCCCC[C@H](O)[C@H](N)c1c(OC)cc(O)cc1OC.Cl
InChIInChI=1S/C14H23NO4.ClH/c1-4-5-6-10(17)14(15)13-11(18-2)7-9(16)8-12(13)19-3;/h7-8,10,14,16-17H,4-6,15H2,1-3H3;1H/t10-,14-;/m0./s1
InChIKeyGKVBJOCMXGKUME-LPJGFKLNSA-N
XLogP2.38
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypentyl]-3,5-dimethoxyphenol
CID 171263078
4-[(1S,2R)-1-amino-2-hydroxybutyl]-3,5-dimethoxyphenol
CID 171268735
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171268752
ethyl (3S)-3-amino-2-fluoro-3-(4-hydroxy-2,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248752
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol;hydrochloride
CID 171266833
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263085
4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202404
5-[(1R,2S)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171261146
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171266832
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol;hydrochloride
CID 171267048
(1R,2S)-1-amino-1-(4-chloro-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171264386
(1S,2R)-1-amino-1-(4-methoxy-3-methylphenyl)hexan-2-ol
CID 171270776

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride (CID 171263081) is 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride is CCCC[C@H](O)[C@H](N)c1c(OC)cc(O)cc1OC.Cl.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride?
The InChIKey is GKVBJOCMXGKUME-LPJGFKLNSA-N. The full InChI is InChI=1S/C14H23NO4.ClH/c1-4-5-6-10(17)14(15)13-11(18-2)7-9(16)8-12(13)19-3;/h7-8,10,14,16-17H,4-6,15H2,1-3H3;1H/t10-,14-;/m0./s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride?
4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride has a molecular weight of 305.80 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171263081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).