4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine

C15H23NO — CID 79597907

IUPAC4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine
SMILESCOCCNCCC=Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO/c1-13-10-14(2)12-15(11-13)6-4-5-7-16-8-9-17-3/h4,6,10-12,16H,5,7-9H2,1-3H3
InChIKeyLERLTTCLTKBAQL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds7

About 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine

4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine (PubChem CID 79597907) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine
PubChem CID79597907
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine
SMILESCOCCNCCC=Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO/c1-13-10-14(2)12-15(11-13)6-4-5-7-16-8-9-17-3/h4,6,10-12,16H,5,7-9H2,1-3H3
InChIKeyLERLTTCLTKBAQL-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79598549
4-(3-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598026
4-(3,5-dimethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79591077
4-(2-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598671
4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
CID 79705493
N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine
CID 79597918
N-(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79341177
ethane;1-[(E)-4-methoxybut-1-enyl]-3-methylbenzene
CID 143867253
(E)-5-bromo-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine
CID 107140612
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
(E)-3-(3,5-dimethylphenyl)prop-2-enal
CID 21498051
2-(3,5-dimethylphenyl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002283

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine (CID 79597907) is 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine is COCCNCCC=Cc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine?
The InChIKey is LERLTTCLTKBAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-10-14(2)12-15(11-13)6-4-5-7-16-8-9-17-3/h4,6,10-12,16H,5,7-9H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine?
4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine is sourced from PubChem (CID 79597907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).