4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline

C15H25N3O — CID 43259559

IUPAC4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline
SMILESCCOc1ccc(N)cc1CN1CCN(CC)CC1
InChIInChI=1S/C15H25N3O/c1-3-17-7-9-18(10-8-17)12-13-11-14(16)5-6-15(13)19-4-2/h5-6,11H,3-4,7-10,12,16H2,1-2H3
InChIKeySLJBBSVEIJONQZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.80
Rot. Bonds5

About 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline

4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline (PubChem CID 43259559) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline
PubChem CID43259559
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline
SMILESCCOc1ccc(N)cc1CN1CCN(CC)CC1
InChIInChI=1S/C15H25N3O/c1-3-17-7-9-18(10-8-17)12-13-11-14(16)5-6-15(13)19-4-2/h5-6,11H,3-4,7-10,12,16H2,1-2H3
InChIKeySLJBBSVEIJONQZ-UHFFFAOYSA-N
XLogP1.80
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-(thiomorpholin-4-ylmethyl)aniline
CID 43259646
3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline
CID 63157257
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-ethoxyaniline
CID 79182339
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160
4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390802
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethoxyaniline
CID 43619967
4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one
CID 79469208
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776400
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline (CID 43259559) is 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline is CCOc1ccc(N)cc1CN1CCN(CC)CC1.
What is the InChIKey of 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline?
The InChIKey is SLJBBSVEIJONQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-17-7-9-18(10-8-17)12-13-11-14(16)5-6-15(13)19-4-2/h5-6,11H,3-4,7-10,12,16H2,1-2H3.
What are the key properties of 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline?
4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline has a molecular weight of 263.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline is sourced from PubChem (CID 43259559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).