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

C13H21N — CID 584234

IUPAC1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
SMILESCc1cccc(C(N)CC(C)C)c1C
InChIInChI=1S/C13H21N/c1-9(2)8-13(14)12-7-5-6-10(3)11(12)4/h5-7,9,13H,8,14H2,1-4H3
InChIKeyQGCDKSUZYYIFAF-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.35
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-3-methylbutan-1-amine (PubChem CID 584234) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
PubChem CID584234
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
SMILESCc1cccc(C(N)CC(C)C)c1C
InChIInChI=1S/C13H21N/c1-9(2)8-13(14)12-7-5-6-10(3)11(12)4/h5-7,9,13H,8,14H2,1-4H3
InChIKeyQGCDKSUZYYIFAF-UHFFFAOYSA-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

1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
3-[(1S)-1-amino-3-methylbutyl]benzene-1,2-diol;hydrochloride
CID 171220532
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 115850536
1-(2-iodophenyl)-3-methylbutan-1-amine
CID 115782664
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83921996
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine (CID 584234) is 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine is Cc1cccc(C(N)CC(C)C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine?
The InChIKey is QGCDKSUZYYIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)8-13(14)12-7-5-6-10(3)11(12)4/h5-7,9,13H,8,14H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine?
1-(2,3-dimethylphenyl)-3-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 1-(2,3-dimethylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 584234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).