2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine

C17H29N3O — CID 63603160

IUPAC2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
SMILESCCC1CN(CCOc2ccc(CCN)cc2)CCN1C
InChIInChI=1S/C17H29N3O/c1-3-16-14-20(11-10-19(16)2)12-13-21-17-6-4-15(5-7-17)8-9-18/h4-7,16H,3,8-14,18H2,1-2H3
InChIKeyLTGZRXXDMNVHMY-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.59
Rot. Bonds7

About 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine

2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 63603160) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
PubChem CID63603160
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
SMILESCCC1CN(CCOc2ccc(CCN)cc2)CCN1C
InChIInChI=1S/C17H29N3O/c1-3-16-14-20(11-10-19(16)2)12-13-21-17-6-4-15(5-7-17)8-9-18/h4-7,16H,3,8-14,18H2,1-2H3
InChIKeyLTGZRXXDMNVHMY-UHFFFAOYSA-N
XLogP1.59
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 102956585
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64682601
3-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63609414
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
2-[4-(aminomethyl)phenoxy]-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63605026
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine
CID 63604704
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine (CID 63603160) is 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine is CCC1CN(CCOc2ccc(CCN)cc2)CCN1C.
What is the InChIKey of 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is LTGZRXXDMNVHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-16-14-20(11-10-19(16)2)12-13-21-17-6-4-15(5-7-17)8-9-18/h4-7,16H,3,8-14,18H2,1-2H3.
What are the key properties of 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine?
2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 63603160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).