(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine

C15H23NO2 — CID 113348558

IUPAC(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO2/c1-5-6-7-10-16-12(2)14-9-8-13(17-3)11-15(14)18-4/h5-6,8-9,11-12,16H,7,10H2,1-4H3/b6-5+
InChIKeyHLTYIIPCXGHEFY-AATRIKPKSA-N
MW249.35 g/mol
LogP3.32
Rot. Bonds7

About (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine

(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine (PubChem CID 113348558) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
PubChem CID113348558
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H23NO2/c1-5-6-7-10-16-12(2)14-9-8-13(17-3)11-15(14)18-4/h5-6,8-9,11-12,16H,7,10H2,1-4H3/b6-5+
InChIKeyHLTYIIPCXGHEFY-AATRIKPKSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
1-(2,4-dimethoxyphenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 103901344
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415755
1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62328738

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine (CID 113348558) is (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine is C/C=C/CCNC(C)c1ccc(OC)cc1OC.
What is the InChIKey of (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine?
The InChIKey is HLTYIIPCXGHEFY-AATRIKPKSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-6-7-10-16-12(2)14-9-8-13(17-3)11-15(14)18-4/h5-6,8-9,11-12,16H,7,10H2,1-4H3/b6-5+.
What are the key properties of (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine?
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine is sourced from PubChem (CID 113348558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).