4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride

C14H24ClNO3 — CID 171219344

IUPAC4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)CCC(C)C)cc(OC)c1O.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-9(2)5-6-11(15)10-7-12(17-3)14(16)13(8-10)18-4;/h7-9,11,16H,5-6,15H2,1-4H3;1H/t11-;/m0./s1
InChIKeyDVKUNHKBHWHHHH-MERQFXBCSA-N
MW289.80 g/mol
LogP3.27
Rot. Bonds6

About 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride

4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride (PubChem CID 171219344) has the molecular formula C14H24ClNO3 and a molecular weight of 289.80 g/mol. Its IUPAC name is 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
PubChem CID171219344
Molecular FormulaC14H24ClNO3
Molecular Weight289.80 g/mol
Exact Mass289.14
IUPAC Name4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)CCC(C)C)cc(OC)c1O.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-9(2)5-6-11(15)10-7-12(17-3)14(16)13(8-10)18-4;/h7-9,11,16H,5-6,15H2,1-4H3;1H/t11-;/m0./s1
InChIKeyDVKUNHKBHWHHHH-MERQFXBCSA-N
XLogP3.27
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-amino-4-methylpentyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226160
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199826
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
4-[(1R)-1,4-diaminobutyl]-2,6-dimethoxyphenol
CID 171199771
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
4-[(1S)-1-aminohexyl]-2,6-dimethoxyphenol
CID 171219313
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
1-(3-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
4-[(1S)-1-amino-3,3-difluoropropyl]-2,6-dimethoxyphenol
CID 171312856

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride (CID 171219344) is 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride is COc1cc([C@@H](N)CCC(C)C)cc(OC)c1O.Cl.
What is the InChIKey of 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride?
The InChIKey is DVKUNHKBHWHHHH-MERQFXBCSA-N. The full InChI is InChI=1S/C14H23NO3.ClH/c1-9(2)5-6-11(15)10-7-12(17-3)14(16)13(8-10)18-4;/h7-9,11,16H,5-6,15H2,1-4H3;1H/t11-;/m0./s1.
What are the key properties of 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride?
4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride has a molecular weight of 289.80 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171219344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).