2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine

C16H27NO4 — CID 43127540

IUPAC2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCCCCOCCOCC(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO4/c1-4-5-8-20-9-10-21-12-14(17)13-6-7-15(18-2)16(11-13)19-3/h6-7,11,14H,4-5,8-10,12,17H2,1-3H3
InChIKeyYRSGNJDIYFZZFB-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.54
Rot. Bonds11

About 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine

2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 43127540) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine
PubChem CID43127540
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCCCCOCCOCC(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO4/c1-4-5-8-20-9-10-21-12-14(17)13-6-7-15(18-2)16(11-13)19-3/h6-7,11,14H,4-5,8-10,12,17H2,1-3H3
InChIKeyYRSGNJDIYFZZFB-UHFFFAOYSA-N
XLogP2.54
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine 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-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine
CID 43127564
2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
CID 43127522
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-(3,4-dimethoxyphenyl)-2-(2-methylbutan-2-yloxy)ethanamine
CID 43127780
(2R)-2-amino-2-(4-butoxy-3-methoxyphenyl)acetic acid
CID 7139531
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine (CID 43127540) is 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine is CCCCOCCOCC(N)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is YRSGNJDIYFZZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-4-5-8-20-9-10-21-12-14(17)13-6-7-15(18-2)16(11-13)19-3/h6-7,11,14H,4-5,8-10,12,17H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine?
2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 297.39 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 43127540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).