(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine

C13H19NO2 — CID 95444282

IUPAC(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
SMILESCOc1ccc(OC)c(/C=C/CCCN)c1
InChIInChI=1S/C13H19NO2/c1-15-12-7-8-13(16-2)11(10-12)6-4-3-5-9-14/h4,6-8,10H,3,5,9,14H2,1-2H3/b6-4+
InChIKeyNCRPYOZTGKEALG-GQCTYLIASA-N
MW221.30 g/mol
LogP2.46
Rot. Bonds6

About (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine

(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine (PubChem CID 95444282) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
PubChem CID95444282
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
SMILESCOc1ccc(OC)c(/C=C/CCCN)c1
InChIInChI=1S/C13H19NO2/c1-15-12-7-8-13(16-2)11(10-12)6-4-3-5-9-14/h4,6-8,10H,3,5,9,14H2,1-2H3/b6-4+
InChIKeyNCRPYOZTGKEALG-GQCTYLIASA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
4-(2,5-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79592499
(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 63969477
N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
CID 170488942
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
CID 46839985
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604
2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
CID 59969522
1-[3-(4-aminobut-1-enyl)-4-methoxyphenyl]ethanone
CID 170487445
2-[2-(4-aminobut-1-enyl)-4-methoxyphenyl]acetic acid
CID 170487768
4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene
CID 79019088

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine?
The IUPAC name of (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine (CID 95444282) is (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine.
What is the SMILES notation for (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine?
The canonical SMILES for (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine is COc1ccc(OC)c(/C=C/CCCN)c1.
What is the InChIKey of (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine?
The InChIKey is NCRPYOZTGKEALG-GQCTYLIASA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-7-8-13(16-2)11(10-12)6-4-3-5-9-14/h4,6-8,10H,3,5,9,14H2,1-2H3/b6-4+.
What are the key properties of (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine?
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine is sourced from PubChem (CID 95444282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).