2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine

C14H21N — CID 79323692

IUPAC2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine
SMILESCc1cccc(C=C(CN)C(C)C)c1C
InChIInChI=1S/C14H21N/c1-10(2)14(9-15)8-13-7-5-6-11(3)12(13)4/h5-8,10H,9,15H2,1-4H3
InChIKeyDJZNQHNNTYUHFW-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.30
Rot. Bonds3

About 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine

2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine (PubChem CID 79323692) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine
PubChem CID79323692
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine
SMILESCc1cccc(C=C(CN)C(C)C)c1C
InChIInChI=1S/C14H21N/c1-10(2)14(9-15)8-13-7-5-6-11(3)12(13)4/h5-8,10H,9,15H2,1-4H3
InChIKeyDJZNQHNNTYUHFW-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339514
1-[(Z)-2-(2,3-dimethylphenyl)ethenyl]-2,3-dimethylbenzene
CID 135028757
1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene
CID 143027707
2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79323028
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321888
2-[(2,3-dimethylphenyl)methylidene]propanedinitrile
CID 130159320
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83921996
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2,3-difluorobenzene
CID 79334024
1-(2-fluoro-3-methylbut-1-enyl)-2-methylbenzene
CID 123708062
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338600

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine (CID 79323692) is 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine is Cc1cccc(C=C(CN)C(C)C)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine?
The InChIKey is DJZNQHNNTYUHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)14(9-15)8-13-7-5-6-11(3)12(13)4/h5-8,10H,9,15H2,1-4H3.
What are the key properties of 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine?
2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 79323692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).