4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline

C17H22N2O2 — CID 43260207

IUPAC4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
SMILESCCOc1ccc(N)cc1COCCCc1ccncc1
InChIInChI=1S/C17H22N2O2/c1-2-21-17-6-5-16(18)12-15(17)13-20-11-3-4-14-7-9-19-10-8-14/h5-10,12H,2-4,11,13,18H2,1H3
InChIKeyUEYLPTZZKKMJKA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.21
Rot. Bonds8

About 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline

4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline (PubChem CID 43260207) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
PubChem CID43260207
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
SMILESCCOc1ccc(N)cc1COCCCc1ccncc1
InChIInChI=1S/C17H22N2O2/c1-2-21-17-6-5-16(18)12-15(17)13-20-11-3-4-14-7-9-19-10-8-14/h5-10,12H,2-4,11,13,18H2,1H3
InChIKeyUEYLPTZZKKMJKA-UHFFFAOYSA-N
XLogP3.21
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-(propoxymethyl)aniline
CID 43260240
4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
CID 43260203
4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560280
3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391
4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 43260074
3-bromo-5-(3-pyridin-4-ylpropoxymethyl)aniline
CID 103350319
4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43443918
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692
[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
CID 80729712
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 63289557
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline?
The IUPAC name of 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline (CID 43260207) is 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline?
The canonical SMILES for 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline is CCOc1ccc(N)cc1COCCCc1ccncc1.
What is the InChIKey of 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline?
The InChIKey is UEYLPTZZKKMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-21-17-6-5-16(18)12-15(17)13-20-11-3-4-14-7-9-19-10-8-14/h5-10,12H,2-4,11,13,18H2,1H3.
What are the key properties of 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline?
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline has a molecular weight of 286.38 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline is sourced from PubChem (CID 43260207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).