1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride

C14H24ClNO3 — CID 170889525

IUPAC1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c(C)cc(OC)c(OC)c1OC.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-6-10(15)8-11-9(2)7-12(16-3)14(18-5)13(11)17-4;/h7,10H,6,8,15H2,1-5H3;1H
InChIKeyWAZNISJHCFUZOF-UHFFFAOYSA-N
MW289.80 g/mol
LogP2.72
Rot. Bonds6

About 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride

1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride (PubChem CID 170889525) has the molecular formula C14H24ClNO3 and a molecular weight of 289.80 g/mol. Its IUPAC name is 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride
PubChem CID170889525
Molecular FormulaC14H24ClNO3
Molecular Weight289.80 g/mol
Exact Mass289.14
IUPAC Name1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c(C)cc(OC)c(OC)c1OC.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-6-10(15)8-11-9(2)7-12(16-3)14(18-5)13(11)17-4;/h7,10H,6,8,15H2,1-5H3;1H
InChIKeyWAZNISJHCFUZOF-UHFFFAOYSA-N
XLogP2.72
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine
CID 170890133
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-(3,4,5-trimethoxyphenyl)pentan-2-amine
CID 3051170
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889477
1-(2,3-difluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889458

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride (CID 170889525) is 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride is CCC(N)Cc1c(C)cc(OC)c(OC)c1OC.Cl.
What is the InChIKey of 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride?
The InChIKey is WAZNISJHCFUZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3.ClH/c1-6-10(15)8-11-9(2)7-12(16-3)14(18-5)13(11)17-4;/h7,10H,6,8,15H2,1-5H3;1H.
What are the key properties of 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride?
1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride has a molecular weight of 289.80 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethoxy-6-methylphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).