1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine

C15H24ClN3 — CID 114860423

IUPAC1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine
SMILESCCN1CCN(c2ccc(Cl)cc2CC(C)N)CC1
InChIInChI=1S/C15H24ClN3/c1-3-18-6-8-19(9-7-18)15-5-4-14(16)11-13(15)10-12(2)17/h4-5,11-12H,3,6-10,17H2,1-2H3
InChIKeyBVVGRUABZXYKFI-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.37
Rot. Bonds4

About 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine

1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine (PubChem CID 114860423) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine
PubChem CID114860423
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine
SMILESCCN1CCN(c2ccc(Cl)cc2CC(C)N)CC1
InChIInChI=1S/C15H24ClN3/c1-3-18-6-8-19(9-7-18)15-5-4-14(16)11-13(15)10-12(2)17/h4-5,11-12H,3,6-10,17H2,1-2H3
InChIKeyBVVGRUABZXYKFI-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 114860414
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 114860582
1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine
CID 102746332
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 81165760
1-(4-chloro-2-nitrophenyl)-4-ethylpiperazine
CID 50879402
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-2-amine
CID 81159332
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 117454603

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine (CID 114860423) is 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine is CCN1CCN(c2ccc(Cl)cc2CC(C)N)CC1.
What is the InChIKey of 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine?
The InChIKey is BVVGRUABZXYKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-18-6-8-19(9-7-18)15-5-4-14(16)11-13(15)10-12(2)17/h4-5,11-12H,3,6-10,17H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine?
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114860423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).