6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride

C12H20ClNO3 — CID 170890743

IUPAC6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride
SMILESCCC(N)Cc1ccc(OC)c(OC)c1O.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-4-9(13)7-8-5-6-10(15-2)12(16-3)11(8)14;/h5-6,9,14H,4,7,13H2,1-3H3;1H
InChIKeyRWIWCHYRYHISIZ-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.11
Rot. Bonds5

About 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride

6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride (PubChem CID 170890743) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride
PubChem CID170890743
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC Name6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride
SMILESCCC(N)Cc1ccc(OC)c(OC)c1O.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-4-9(13)7-8-5-6-10(15-2)12(16-3)11(8)14;/h5-6,9,14H,4,7,13H2,1-3H3;1H
InChIKeyRWIWCHYRYHISIZ-UHFFFAOYSA-N
XLogP2.11
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170889238
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
CID 66516816
5-(2-aminobutyl)-4-bromo-2-methoxyphenol
CID 170888665
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
2,3-dimethoxy-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 15232152
1-[2-methoxy-4-(trifluoromethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889486

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride?
The IUPAC name of 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride (CID 170890743) is 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride?
The canonical SMILES for 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride is CCC(N)Cc1ccc(OC)c(OC)c1O.Cl.
What is the InChIKey of 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride?
The InChIKey is RWIWCHYRYHISIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3.ClH/c1-4-9(13)7-8-5-6-10(15-2)12(16-3)11(8)14;/h5-6,9,14H,4,7,13H2,1-3H3;1H.
What are the key properties of 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride?
6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminobutyl)-2,3-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 170890743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).