2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline

C16H27N3O — CID 82071130

IUPAC2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
SMILESCCOc1ccc(CCCN2CCN(C)CC2)cc1N
InChIInChI=1S/C16H27N3O/c1-3-20-16-7-6-14(13-15(16)17)5-4-8-19-11-9-18(2)10-12-19/h6-7,13H,3-5,8-12,17H2,1-2H3
InChIKeyRJJNWTCNEGUILP-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.85
Rot. Bonds6

About 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline

2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline (PubChem CID 82071130) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
PubChem CID82071130
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
SMILESCCOc1ccc(CCCN2CCN(C)CC2)cc1N
InChIInChI=1S/C16H27N3O/c1-3-20-16-7-6-14(13-15(16)17)5-4-8-19-11-9-18(2)10-12-19/h6-7,13H,3-5,8-12,17H2,1-2H3
InChIKeyRJJNWTCNEGUILP-UHFFFAOYSA-N
XLogP1.85
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.85
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

5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
4-[2-(3-amino-4-ethoxyphenyl)ethyl]piperazine-1-carbaldehyde
CID 82256198
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863779
1-(3-amino-4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803
2-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 82071195
2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
CID 82257573
1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
CID 170863849
5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
CID 82070796
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
CID 129295645

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The IUPAC name of 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline (CID 82071130) is 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline.
What is the SMILES notation for 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The canonical SMILES for 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline is CCOc1ccc(CCCN2CCN(C)CC2)cc1N.
What is the InChIKey of 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The InChIKey is RJJNWTCNEGUILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-20-16-7-6-14(13-15(16)17)5-4-8-19-11-9-18(2)10-12-19/h6-7,13H,3-5,8-12,17H2,1-2H3.
What are the key properties of 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline?
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline has a molecular weight of 277.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline is sourced from PubChem (CID 82071130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).