2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

C15H24ClN3 — CID 55090288

IUPAC2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCNc2ccccc2Cl)CC1
InChIInChI=1S/C15H24ClN3/c1-13(2)19-11-9-18(10-12-19)8-7-17-15-6-4-3-5-14(15)16/h3-6,13,17H,7-12H2,1-2H3
InChIKeyAUHKSTNCQJCSFD-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.78
Rot. Bonds5

About 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline

2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (PubChem CID 55090288) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
PubChem CID55090288
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCC(C)N1CCN(CCNc2ccccc2Cl)CC1
InChIInChI=1S/C15H24ClN3/c1-13(2)19-11-9-18(10-12-19)8-7-17-15-6-4-3-5-14(15)16/h3-6,13,17H,7-12H2,1-2H3
InChIKeyAUHKSTNCQJCSFD-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
CID 63502704
1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089751
2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79016629
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62775057
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
CID 62575700
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62773690
4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62559865
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167572
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
CID 79924619
3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline (CID 55090288) is 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is CC(C)N1CCN(CCNc2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
The InChIKey is AUHKSTNCQJCSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-13(2)19-11-9-18(10-12-19)8-7-17-15-6-4-3-5-14(15)16/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline?
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline has a molecular weight of 281.83 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 55090288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).