(1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride

C15H26ClNO4 — CID 171160832

IUPAC(1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride
SMILESCOc1cc([C@@H](N)[C@@H](O)CC(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C15H25NO4.ClH/c1-9(2)6-11(17)14(16)10-7-12(18-3)15(20-5)13(8-10)19-4;/h7-9,11,14,17H,6,16H2,1-5H3;1H/t11-,14+;/m0./s1
InChIKeyHRAZJAIEODMDQO-YECZQDJWSA-N
MW319.83 g/mol
LogP2.54
Rot. Bonds7

About (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride

(1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride (PubChem CID 171160832) has the molecular formula C15H26ClNO4 and a molecular weight of 319.83 g/mol. Its IUPAC name is (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride
PubChem CID171160832
Molecular FormulaC15H26ClNO4
Molecular Weight319.83 g/mol
Exact Mass319.16
IUPAC Name(1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride
SMILESCOc1cc([C@@H](N)[C@@H](O)CC(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C15H25NO4.ClH/c1-9(2)6-11(17)14(16)10-7-12(18-3)15(20-5)13(8-10)19-4;/h7-9,11,14,17H,6,16H2,1-5H3;1H/t11-,14+;/m0./s1
InChIKeyHRAZJAIEODMDQO-YECZQDJWSA-N
XLogP2.54
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
5-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2-methoxyphenol
CID 171160749
(1R,2S)-1-amino-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)butan-2-ol
CID 171160835
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
(1S)-3,3-difluoro-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 171312849
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
4-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160620
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride (CID 171160832) is (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride is COc1cc([C@@H](N)[C@@H](O)CC(C)C)cc(OC)c1OC.Cl.
What is the InChIKey of (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride?
The InChIKey is HRAZJAIEODMDQO-YECZQDJWSA-N. The full InChI is InChI=1S/C15H25NO4.ClH/c1-9(2)6-11(17)14(16)10-7-12(18-3)15(20-5)13(8-10)19-4;/h7-9,11,14,17H,6,16H2,1-5H3;1H/t11-,14+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride?
(1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171160832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).