1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine

C17H30N2O2 — CID 81036797

IUPAC1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC)c(CN(C)CCOCC)c1
InChIInChI=1S/C17H30N2O2/c1-6-18-14(3)15-8-9-17(20-5)16(12-15)13-19(4)10-11-21-7-2/h8-9,12,14,18H,6-7,10-11,13H2,1-5H3
InChIKeyRWUHGLGQYVUGOW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.83
Rot. Bonds10

About 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine

1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine (PubChem CID 81036797) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine
PubChem CID81036797
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC)c(CN(C)CCOCC)c1
InChIInChI=1S/C17H30N2O2/c1-6-18-14(3)15-8-9-17(20-5)16(12-15)13-19(4)10-11-21-7-2/h8-9,12,14,18H,6-7,10-11,13H2,1-5H3
InChIKeyRWUHGLGQYVUGOW-UHFFFAOYSA-N
XLogP2.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.83
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

1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 81058535
N-ethyl-1-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethanamine
CID 55112329
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine
CID 64647101
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 43279473
N-ethyl-1-[4-methoxy-3-(2-methylpropylsulfinylmethyl)phenyl]ethanamine
CID 64652652
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine
CID 106201082
N-ethyl-1-[4-methoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764159
N-ethyl-1-[4-methoxy-3-(pentylsulfanylmethyl)phenyl]ethanamine
CID 107763041
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 43279455

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine (CID 81036797) is 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine is CCNC(C)c1ccc(OC)c(CN(C)CCOCC)c1.
What is the InChIKey of 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine?
The InChIKey is RWUHGLGQYVUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-18-14(3)15-8-9-17(20-5)16(12-15)13-19(4)10-11-21-7-2/h8-9,12,14,18H,6-7,10-11,13H2,1-5H3.
What are the key properties of 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine?
1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine has a molecular weight of 294.44 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 81036797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).