2,3-dimethyl-N-(3-methylbutyl)aniline

C13H21N — CID 29053614

IUPAC2,3-dimethyl-N-(3-methylbutyl)aniline
SMILESCc1cccc(NCCC(C)C)c1C
InChIInChI=1S/C13H21N/c1-10(2)8-9-14-13-7-5-6-11(3)12(13)4/h5-7,10,14H,8-9H2,1-4H3
InChIKeyUMLLKHXEAOVLPI-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.76
Rot. Bonds4

About 2,3-dimethyl-N-(3-methylbutyl)aniline

2,3-dimethyl-N-(3-methylbutyl)aniline (PubChem CID 29053614) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methylbutyl)aniline
PubChem CID29053614
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,3-dimethyl-N-(3-methylbutyl)aniline
SMILESCc1cccc(NCCC(C)C)c1C
InChIInChI=1S/C13H21N/c1-10(2)8-9-14-13-7-5-6-11(3)12(13)4/h5-7,10,14H,8-9H2,1-4H3
InChIKeyUMLLKHXEAOVLPI-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809532
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876148
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192
N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809939
3-chloro-2-methyl-N-(4-methylpentyl)aniline
CID 83155980
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54805514
N'-(2,3-dimethylphenyl)pentane-1,5-diamine
CID 129283902
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
N-(3-bromobutyl)-2-methylaniline
CID 90819159
4-(2-methylanilino)butan-2-ol
CID 112693026
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447
4-methyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 62590495

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2,3-dimethyl-N-(3-methylbutyl)aniline (CID 29053614) is 2,3-dimethyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2,3-dimethyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2,3-dimethyl-N-(3-methylbutyl)aniline is Cc1cccc(NCCC(C)C)c1C.
What is the InChIKey of 2,3-dimethyl-N-(3-methylbutyl)aniline?
The InChIKey is UMLLKHXEAOVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)8-9-14-13-7-5-6-11(3)12(13)4/h5-7,10,14H,8-9H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(3-methylbutyl)aniline?
2,3-dimethyl-N-(3-methylbutyl)aniline has a molecular weight of 191.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 29053614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).