2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine

C15H24ClN3O — CID 65021916

IUPAC2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3O/c1-3-18-6-8-19(9-7-18)14(11-17)12-4-5-15(20-2)13(16)10-12/h4-5,10,14H,3,6-9,11,17H2,1-2H3
InChIKeyIKUODWCFHKWXTA-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.99
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine

2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 65021916) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID65021916
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3O/c1-3-18-6-8-19(9-7-18)14(11-17)12-4-5-15(20-2)13(16)10-12/h4-5,10,14H,3,6-9,11,17H2,1-2H3
InChIKeyIKUODWCFHKWXTA-UHFFFAOYSA-N
XLogP1.99
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
CID 83979614
2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 83231104
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-(3,5-dichloro-4-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 112540388
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
CID 16789817
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
2-(3-chloro-4-methoxyphenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 65021919
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 65021916) is 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is IKUODWCFHKWXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-18-6-8-19(9-7-18)14(11-17)12-4-5-15(20-2)13(16)10-12/h4-5,10,14H,3,6-9,11,17H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine?
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine has a molecular weight of 297.83 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 65021916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).