4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine

C13H19NO — CID 79593374

IUPAC4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
SMILESCCOc1ccc(C=CCCNC)cc1
InChIInChI=1S/C13H19NO/c1-3-15-13-9-7-12(8-10-13)6-4-5-11-14-2/h4,6-10,14H,3,5,11H2,1-2H3
InChIKeyURMWEFOTRXFWGQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.71
Rot. Bonds6

About 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine

4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine (PubChem CID 79593374) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
PubChem CID79593374
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
SMILESCCOc1ccc(C=CCCNC)cc1
InChIInChI=1S/C13H19NO/c1-3-15-13-9-7-12(8-10-13)6-4-5-11-14-2/h4,6-10,14H,3,5,11H2,1-2H3
InChIKeyURMWEFOTRXFWGQ-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.71
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

4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
5-(4-ethoxyphenyl)pent-4-enoic acid
CID 54525695
ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
(E)-3-[4-[4-(methylamino)but-1-enyl]phenyl]prop-2-enal
CID 170496048
4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine
CID 79590058
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
ethyl 4-[4-[4-(methylamino)but-1-enyl]phenyl]-4-oxobutanoate
CID 170496739
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine (CID 79593374) is 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine is CCOc1ccc(C=CCCNC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine?
The InChIKey is URMWEFOTRXFWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-15-13-9-7-12(8-10-13)6-4-5-11-14-2/h4,6-10,14H,3,5,11H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine?
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 79593374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).