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

C16H27NO4 — CID 43127564

IUPAC2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine
SMILESCCCCOCCOCC(N)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO4/c1-4-5-8-20-9-10-21-12-15(17)14-7-6-13(18-2)11-16(14)19-3/h6-7,11,15H,4-5,8-10,12,17H2,1-3H3
InChIKeyYFPZXVDMWVKJMS-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.54
Rot. Bonds11

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

2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine (PubChem CID 43127564) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine
PubChem CID43127564
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine
SMILESCCCCOCCOCC(N)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO4/c1-4-5-8-20-9-10-21-12-15(17)14-7-6-13(18-2)11-16(14)19-3/h6-7,11,15H,4-5,8-10,12,17H2,1-3H3
InChIKeyYFPZXVDMWVKJMS-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'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560891
2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine
CID 43127540
1-(2-methoxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63686924
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
1-(2,4-dimethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453473
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methoxyphenyl)ethanamine
CID 103401868
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine (CID 43127564) is 2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine is CCCCOCCOCC(N)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine?
The InChIKey is YFPZXVDMWVKJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-4-5-8-20-9-10-21-12-15(17)14-7-6-13(18-2)11-16(14)19-3/h6-7,11,15H,4-5,8-10,12,17H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine?
2-(2-butoxyethoxy)-1-(2,4-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-(2,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 43127564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).