2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine

C14H21NO — CID 79330304

IUPAC2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1ccc(OC)c(C)c1)CNC
InChIInChI=1S/C14H21NO/c1-5-12(10-15-3)9-13-6-7-14(16-4)11(2)8-13/h6-9,15H,5,10H2,1-4H3
InChIKeyGPIACNWNKMDGAD-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.02
Rot. Bonds5

About 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine

2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine (PubChem CID 79330304) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine
PubChem CID79330304
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1ccc(OC)c(C)c1)CNC
InChIInChI=1S/C14H21NO/c1-5-12(10-15-3)9-13-6-7-14(16-4)11(2)8-13/h6-9,15H,5,10H2,1-4H3
InChIKeyGPIACNWNKMDGAD-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(chloromethyl)but-1-enyl]-1-methoxy-2-methylbenzene
CID 79335032
2-[(4-bromo-3-methylphenyl)methylidene]-N-methylbutan-1-amine
CID 79329977
2-[(4-methoxy-3-methylphenyl)methylidene]butanal
CID 79334147
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79330355
2-[(3-bromo-4-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79328867
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
N-ethyl-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79329986
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654
3-(4-methoxy-3-methylphenyl)-2-methylprop-2-enal
CID 79331206
(2E,3E)-2,3-bis[(4-methoxy-3-methylphenyl)methylidene]butanedioic acid
CID 10339857
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341727

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine (CID 79330304) is 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine is CCC(=Cc1ccc(OC)c(C)c1)CNC.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine?
The InChIKey is GPIACNWNKMDGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-12(10-15-3)9-13-6-7-14(16-4)11(2)8-13/h6-9,15H,5,10H2,1-4H3.
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine?
2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 79330304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).