5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine

C17H29NO2 — CID 65304908

IUPAC5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
SMILESCCOc1ccc(CCC(C)CCNC)cc1OCC
InChIInChI=1S/C17H29NO2/c1-5-19-16-10-9-15(13-17(16)20-6-2)8-7-14(3)11-12-18-4/h9-10,13-14,18H,5-8,11-12H2,1-4H3
InChIKeyHGDAXYBEPOKVBK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.66
Rot. Bonds10

About 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine

5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine (PubChem CID 65304908) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
PubChem CID65304908
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
SMILESCCOc1ccc(CCC(C)CCNC)cc1OCC
InChIInChI=1S/C17H29NO2/c1-5-19-16-10-9-15(13-17(16)20-6-2)8-7-14(3)11-12-18-4/h9-10,13-14,18H,5-8,11-12H2,1-4H3
InChIKeyHGDAXYBEPOKVBK-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-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

5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
CID 113319296
4-(3-bromo-4-methylpentyl)-1,2-diethoxybenzene
CID 64507643
5-(3-bromo-4-ethoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 104662928
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
1,2-diethoxy-4-propylbenzene
CID 3995471
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine (CID 65304908) is 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine is CCOc1ccc(CCC(C)CCNC)cc1OCC.
What is the InChIKey of 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is HGDAXYBEPOKVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-19-16-10-9-15(13-17(16)20-6-2)8-7-14(3)11-12-18-4/h9-10,13-14,18H,5-8,11-12H2,1-4H3.
What are the key properties of 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine?
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 65304908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).