2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine

C15H25NO3 — CID 61483570

IUPAC2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
SMILESCCCCOCCOc1cc(OC)ccc1CCN
InChIInChI=1S/C15H25NO3/c1-3-4-9-18-10-11-19-15-12-14(17-2)6-5-13(15)7-8-16/h5-6,12H,3-4,7-11,16H2,1-2H3
InChIKeyRIFAXMSIVTYANE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.39
Rot. Bonds10

About 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine

2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine (PubChem CID 61483570) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
PubChem CID61483570
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
SMILESCCCCOCCOc1cc(OC)ccc1CCN
InChIInChI=1S/C15H25NO3/c1-3-4-9-18-10-11-19-15-12-14(17-2)6-5-13(15)7-8-16/h5-6,12H,3-4,7-11,16H2,1-2H3
InChIKeyRIFAXMSIVTYANE-UHFFFAOYSA-N
XLogP2.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
CID 61490558
2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 22683857
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238
2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 61267654
1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene
CID 61267808
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine (CID 61483570) is 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine is CCCCOCCOc1cc(OC)ccc1CCN.
What is the InChIKey of 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine?
The InChIKey is RIFAXMSIVTYANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-4-9-18-10-11-19-15-12-14(17-2)6-5-13(15)7-8-16/h5-6,12H,3-4,7-11,16H2,1-2H3.
What are the key properties of 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine?
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 61483570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).