2-[3-(3-methylbutoxy)phenoxy]ethanamine

C13H21NO2 — CID 25256004

IUPAC2-[3-(3-methylbutoxy)phenoxy]ethanamine
SMILESCC(C)CCOc1cccc(OCCN)c1
InChIInChI=1S/C13H21NO2/c1-11(2)6-8-15-12-4-3-5-13(10-12)16-9-7-14/h3-5,10-11H,6-9,14H2,1-2H3
InChIKeyUKGLBXMFKJXRKT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.45
Rot. Bonds7

About 2-[3-(3-methylbutoxy)phenoxy]ethanamine

2-[3-(3-methylbutoxy)phenoxy]ethanamine (PubChem CID 25256004) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(3-methylbutoxy)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(3-methylbutoxy)phenoxy]ethanamine
PubChem CID25256004
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[3-(3-methylbutoxy)phenoxy]ethanamine
SMILESCC(C)CCOc1cccc(OCCN)c1
InChIInChI=1S/C13H21NO2/c1-11(2)6-8-15-12-4-3-5-13(10-12)16-9-7-14/h3-5,10-11H,6-9,14H2,1-2H3
InChIKeyUKGLBXMFKJXRKT-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571
3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline
CID 143981627
1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
CID 141321330

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutoxy)phenoxy]ethanamine?
The IUPAC name of 2-[3-(3-methylbutoxy)phenoxy]ethanamine (CID 25256004) is 2-[3-(3-methylbutoxy)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(3-methylbutoxy)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(3-methylbutoxy)phenoxy]ethanamine is CC(C)CCOc1cccc(OCCN)c1.
What is the InChIKey of 2-[3-(3-methylbutoxy)phenoxy]ethanamine?
The InChIKey is UKGLBXMFKJXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)6-8-15-12-4-3-5-13(10-12)16-9-7-14/h3-5,10-11H,6-9,14H2,1-2H3.
What are the key properties of 2-[3-(3-methylbutoxy)phenoxy]ethanamine?
2-[3-(3-methylbutoxy)phenoxy]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutoxy)phenoxy]ethanamine is sourced from PubChem (CID 25256004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).