1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine

C14H21NO — CID 104987516

IUPAC1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1ccc(OCC)cc1
InChIInChI=1S/C14H21NO/c1-4-6-7-14(15-3)12-8-10-13(11-9-12)16-5-2/h4,8-11,14-15H,1,5-7H2,2-3H3
InChIKeyDVUXMFFNKGHHDI-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.31
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine

1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine (PubChem CID 104987516) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
PubChem CID104987516
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1ccc(OCC)cc1
InChIInChI=1S/C14H21NO/c1-4-6-7-14(15-3)12-8-10-13(11-9-12)16-5-2/h4,8-11,14-15H,1,5-7H2,2-3H3
InChIKeyDVUXMFFNKGHHDI-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
1-(4-ethoxyphenyl)pent-4-en-1-ol
CID 115804789
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpent-4-en-1-amine
CID 104987213
1-(4-ethoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfinyl)ethanamine
CID 64660125
N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 104987768
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine (CID 104987516) is 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine is C=CCCC(NC)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine?
The InChIKey is DVUXMFFNKGHHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-7-14(15-3)12-8-10-13(11-9-12)16-5-2/h4,8-11,14-15H,1,5-7H2,2-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine?
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 104987516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).