1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

C15H24ClN3 — CID 54861037

IUPAC1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCC(NCCN1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3/c1-13(14-4-3-5-15(16)12-14)17-6-7-19-10-8-18(2)9-11-19/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyZVZVYZFJAJYAHV-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.24
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (PubChem CID 54861037) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
PubChem CID54861037
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCC(NCCN1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3/c1-13(14-4-3-5-15(16)12-14)17-6-7-19-10-8-18(2)9-11-19/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyZVZVYZFJAJYAHV-UHFFFAOYSA-N
XLogP2.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
CID 82891931
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114082694
1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897772
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
(1S)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81371719
(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81372752
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (CID 54861037) is 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is CC(NCCN1CCN(C)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The InChIKey is ZVZVYZFJAJYAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-13(14-4-3-5-15(16)12-14)17-6-7-19-10-8-18(2)9-11-19/h3-5,12-13,17H,6-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine has a molecular weight of 281.83 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 54861037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).