(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride

C14H24ClNO3 — CID 171201061

IUPAC(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-6-9(2)14(15)13-11(17-4)7-10(16-3)8-12(13)18-5;/h7-9,14H,6,15H2,1-5H3;1H/t9?,14-;/m1./s1
InChIKeySAAAJLYEVVBQNJ-YCZZTAKZSA-N
MW289.80 g/mol
LogP3.18
Rot. Bonds6

About (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride

(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride (PubChem CID 171201061) has the molecular formula C14H24ClNO3 and a molecular weight of 289.80 g/mol. Its IUPAC name is (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
PubChem CID171201061
Molecular FormulaC14H24ClNO3
Molecular Weight289.80 g/mol
Exact Mass289.14
IUPAC Name(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl
InChIInChI=1S/C14H23NO3.ClH/c1-6-9(2)14(15)13-11(17-4)7-10(16-3)8-12(13)18-5;/h7-9,14H,6,15H2,1-5H3;1H/t9?,14-;/m1./s1
InChIKeySAAAJLYEVVBQNJ-YCZZTAKZSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
(1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171199679
(1S)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171219207
(1S)-3,3-difluoro-1-(2,4,6-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171312905
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol;hydrochloride
CID 171267048
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035
2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207080
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3,5-dimethoxyphenol;hydrochloride
CID 171268752
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol
CID 171267047
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride (CID 171201061) is (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1c(OC)cc(OC)cc1OC.Cl.
What is the InChIKey of (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride?
The InChIKey is SAAAJLYEVVBQNJ-YCZZTAKZSA-N. The full InChI is InChI=1S/C14H23NO3.ClH/c1-6-9(2)14(15)13-11(17-4)7-10(16-3)8-12(13)18-5;/h7-9,14H,6,15H2,1-5H3;1H/t9?,14-;/m1./s1.
What are the key properties of (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride?
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride has a molecular weight of 289.80 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171201061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).