(1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride

C13H22ClNO2 — CID 171199679

IUPAC(1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1cc(OC)cc(OC)c1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-5-9(2)13(14)10-6-11(15-3)8-12(7-10)16-4;/h6-9,13H,5,14H2,1-4H3;1H/t9?,13-;/m1./s1
InChIKeyLIAMMSXWKPZHFN-SXMPBOCKSA-N
MW259.78 g/mol
LogP3.17
Rot. Bonds5

About (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride

(1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171199679) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171199679
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name(1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1cc(OC)cc(OC)c1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-5-9(2)13(14)10-6-11(15-3)8-12(7-10)16-4;/h6-9,13H,5,14H2,1-4H3;1H/t9?,13-;/m1./s1
InChIKeyLIAMMSXWKPZHFN-SXMPBOCKSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171219207
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
(1R,2S)-1-amino-1-(3,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171160851
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
1-(2,6-dimethyl-4-pyridinyl)-2-methylbutan-1-amine
CID 107503239
1-(3,5-dimethoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312157
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
(1R,2S)-1-amino-1-(3,5-dimethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171160857
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171198600

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride (CID 171199679) is (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1cc(OC)cc(OC)c1.Cl.
What is the InChIKey of (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is LIAMMSXWKPZHFN-SXMPBOCKSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-5-9(2)13(14)10-6-11(15-3)8-12(7-10)16-4;/h6-9,13H,5,14H2,1-4H3;1H/t9?,13-;/m1./s1.
What are the key properties of (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride?
(1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171199679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).