1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine

C13H21NO2 — CID 60861720

IUPAC1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
SMILESCCOCc1cc(C(C)N)ccc1OCC
InChIInChI=1S/C13H21NO2/c1-4-15-9-12-8-11(10(3)14)6-7-13(12)16-5-2/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyMMPAVIQEBLUZLH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.64
Rot. Bonds6

About 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine

1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine (PubChem CID 60861720) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
PubChem CID60861720
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
SMILESCCOCc1cc(C(C)N)ccc1OCC
InChIInChI=1S/C13H21NO2/c1-4-15-9-12-8-11(10(3)14)6-7-13(12)16-5-2/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyMMPAVIQEBLUZLH-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103283395
1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
CID 106200766
1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 81058535
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[4-ethoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764224
1-[4-ethoxy-3-(2-methylbutylsulfonylmethyl)phenyl]ethanamine
CID 107759746
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-[3-[(4-bromophenyl)sulfanylmethyl]-4-ethoxyphenyl]ethanamine
CID 64613281
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
1-[3-(butylsulfinylmethyl)-4-ethoxyphenyl]ethanamine
CID 64656167

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine?
The IUPAC name of 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine (CID 60861720) is 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine is CCOCc1cc(C(C)N)ccc1OCC.
What is the InChIKey of 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine?
The InChIKey is MMPAVIQEBLUZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-15-9-12-8-11(10(3)14)6-7-13(12)16-5-2/h6-8,10H,4-5,9,14H2,1-3H3.
What are the key properties of 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine?
1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 60861720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).