2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine

C18H31N3O — CID 83979698

IUPAC2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
SMILESCCN1CCN(C(CN)c2ccc(OCC(C)C)cc2)CC1
InChIInChI=1S/C18H31N3O/c1-4-20-9-11-21(12-10-20)18(13-19)16-5-7-17(8-6-16)22-14-15(2)3/h5-8,15,18H,4,9-14,19H2,1-3H3
InChIKeyHMUGHXCHMYNFDW-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.36
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine

2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 83979698) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
PubChem CID83979698
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
SMILESCCN1CCN(C(CN)c2ccc(OCC(C)C)cc2)CC1
InChIInChI=1S/C18H31N3O/c1-4-20-9-11-21(12-10-20)18(13-19)16-5-7-17(8-6-16)22-14-15(2)3/h5-8,15,18H,4,9-14,19H2,1-3H3
InChIKeyHMUGHXCHMYNFDW-UHFFFAOYSA-N
XLogP2.36
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine (CID 83979698) is 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine is CCN1CCN(C(CN)c2ccc(OCC(C)C)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is HMUGHXCHMYNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-20-9-11-21(12-10-20)18(13-19)16-5-7-17(8-6-16)22-14-15(2)3/h5-8,15,18H,4,9-14,19H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine?
2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 305.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 83979698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).