5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline

C12H15NO — CID 130654074

IUPAC5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline
SMILESC#CCNc1cc(OC)c(C)cc1C
InChIInChI=1S/C12H15NO/c1-5-6-13-11-8-12(14-4)10(3)7-9(11)2/h1,7-8,13H,6H2,2-4H3
InChIKeyGAIGFDNPRUEOQY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.36
Rot. Bonds3

About 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline

5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline (PubChem CID 130654074) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline.

Molecular Properties

Compound Name5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline
PubChem CID130654074
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline
SMILESC#CCNc1cc(OC)c(C)cc1C
InChIInChI=1S/C12H15NO/c1-5-6-13-11-8-12(14-4)10(3)7-9(11)2/h1,7-8,13H,6H2,2-4H3
InChIKeyGAIGFDNPRUEOQY-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
CID 106660453
4-fluoro-2,5-dimethyl-N-prop-2-ynylaniline
CID 130735585
(2,5-dimethoxy-4-methylanilino)methanethiol
CID 115227630
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
5-fluoro-2-methyl-N-prop-2-ynylaniline
CID 60679305
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
CID 115136773
1-(4-methoxy-2,5-dimethylphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589496
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
3-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2,3-triamine
CID 115119373

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline?
The IUPAC name of 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline (CID 130654074) is 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline.
What is the SMILES notation for 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline?
The canonical SMILES for 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline is C#CCNc1cc(OC)c(C)cc1C.
What is the InChIKey of 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline?
The InChIKey is GAIGFDNPRUEOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-5-6-13-11-8-12(14-4)10(3)7-9(11)2/h1,7-8,13H,6H2,2-4H3.
What are the key properties of 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline?
5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline has a molecular weight of 189.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline is sourced from PubChem (CID 130654074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).