1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine

C16H25NO2 — CID 106200766

IUPAC1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
SMILESCCOc1ccc(C(C)N)cc1COCCC1CC1
InChIInChI=1S/C16H25NO2/c1-3-19-16-7-6-14(12(2)17)10-15(16)11-18-9-8-13-4-5-13/h6-7,10,12-13H,3-5,8-9,11,17H2,1-2H3
InChIKeyLWILWRQYWMMCTR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.42
Rot. Bonds8

About 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine

1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine (PubChem CID 106200766) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
PubChem CID106200766
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
SMILESCCOc1ccc(C(C)N)cc1COCCC1CC1
InChIInChI=1S/C16H25NO2/c1-3-19-16-7-6-14(12(2)17)10-15(16)11-18-9-8-13-4-5-13/h6-7,10,12-13H,3-5,8-9,11,17H2,1-2H3
InChIKeyLWILWRQYWMMCTR-UHFFFAOYSA-N
XLogP3.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.42
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

1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
CID 60861720
1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103283395
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
CID 54936626
1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 81058535
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[3-[(4-bromophenyl)sulfanylmethyl]-4-ethoxyphenyl]ethanamine
CID 64613281
1-[4-ethoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
CID 64656268
4-ethoxy-3-(propoxymethyl)aniline
CID 43260240
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
1-[4-ethoxy-3-(2-methylbutylsulfonylmethyl)phenyl]ethanamine
CID 107759746

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine?
The IUPAC name of 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine (CID 106200766) is 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine?
The canonical SMILES for 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine is CCOc1ccc(C(C)N)cc1COCCC1CC1.
What is the InChIKey of 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine?
The InChIKey is LWILWRQYWMMCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-19-16-7-6-14(12(2)17)10-15(16)11-18-9-8-13-4-5-13/h6-7,10,12-13H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine?
1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine is sourced from PubChem (CID 106200766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).