2-(2-butoxy-4-methoxyphenyl)ethanamine

C13H21NO2 — CID 20985365

IUPAC2-(2-butoxy-4-methoxyphenyl)ethanamine
SMILESCCCCOc1cc(OC)ccc1CCN
InChIInChI=1S/C13H21NO2/c1-3-4-9-16-13-10-12(15-2)6-5-11(13)7-8-14/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyYFRACXRODCMKIZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.38
Rot. Bonds7

About 2-(2-butoxy-4-methoxyphenyl)ethanamine

2-(2-butoxy-4-methoxyphenyl)ethanamine (PubChem CID 20985365) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-butoxy-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-butoxy-4-methoxyphenyl)ethanamine
PubChem CID20985365
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-butoxy-4-methoxyphenyl)ethanamine
SMILESCCCCOc1cc(OC)ccc1CCN
InChIInChI=1S/C13H21NO2/c1-3-4-9-16-13-10-12(15-2)6-5-11(13)7-8-14/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyYFRACXRODCMKIZ-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
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-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017
2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 22683857
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxy-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2-butoxy-4-methoxyphenyl)ethanamine (CID 20985365) is 2-(2-butoxy-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-butoxy-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-butoxy-4-methoxyphenyl)ethanamine is CCCCOc1cc(OC)ccc1CCN.
What is the InChIKey of 2-(2-butoxy-4-methoxyphenyl)ethanamine?
The InChIKey is YFRACXRODCMKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-4-9-16-13-10-12(15-2)6-5-11(13)7-8-14/h5-6,10H,3-4,7-9,14H2,1-2H3.
What are the key properties of 2-(2-butoxy-4-methoxyphenyl)ethanamine?
2-(2-butoxy-4-methoxyphenyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxy-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 20985365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).