(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine

C13H21N — CID 130806142

IUPAC(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1cccc(C)c1C
InChIInChI=1S/C13H21N/c1-5-9(2)13(14)12-8-6-7-10(3)11(12)4/h6-9,13H,5,14H2,1-4H3/t9?,13-/m1/s1
InChIKeyGSFYKCRHMUCZIA-WCRCJTMVSA-N
MW191.32 g/mol
LogP3.35
Rot. Bonds3

About (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine

(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine (PubChem CID 130806142) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
PubChem CID130806142
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1cccc(C)c1C
InChIInChI=1S/C13H21N/c1-5-9(2)13(14)12-8-6-7-10(3)11(12)4/h6-9,13H,5,14H2,1-4H3/t9?,13-/m1/s1
InChIKeyGSFYKCRHMUCZIA-WCRCJTMVSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
CID 139609928
1-(2-bromo-3-methylphenyl)-2-methylbutan-1-amine
CID 107985251
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 115850536
(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 131347710
ethyl (3S)-3-amino-3-(2,3-dimethylphenyl)-2-fluoropropanoate;hydrochloride
CID 171247236
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine (CID 130806142) is (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1cccc(C)c1C.
What is the InChIKey of (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine?
The InChIKey is GSFYKCRHMUCZIA-WCRCJTMVSA-N. The full InChI is InChI=1S/C13H21N/c1-5-9(2)13(14)12-8-6-7-10(3)11(12)4/h6-9,13H,5,14H2,1-4H3/t9?,13-/m1/s1.
What are the key properties of (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine?
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 130806142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).