1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine

C18H29NO2 — CID 105039354

IUPAC1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C18H29NO2/c1-6-19-16(11-9-14(4)5)15-10-12-17(20-7-2)18(13-15)21-8-3/h10,12-13,16,19H,4,6-9,11H2,1-3,5H3
InChIKeyFEDLBYMFDCKSEB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.49
Rot. Bonds10

About 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine

1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 105039354) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID105039354
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C18H29NO2/c1-6-19-16(11-9-14(4)5)15-10-12-17(20-7-2)18(13-15)21-8-3/h10,12-13,16,19H,4,6-9,11H2,1-3,5H3
InChIKeyFEDLBYMFDCKSEB-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-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

1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
CID 105039459
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039781
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine (CID 105039354) is 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is FEDLBYMFDCKSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-19-16(11-9-14(4)5)15-10-12-17(20-7-2)18(13-15)21-8-3/h10,12-13,16,19H,4,6-9,11H2,1-3,5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 105039354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).