N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine

C16H24ClN3 — CID 114849168

IUPACN-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H24ClN3/c1-2-18-12-13-3-4-14(17)11-16(13)20-9-7-19(8-10-20)15-5-6-15/h3-4,11,15,18H,2,5-10,12H2,1H3
InChIKeyBOBIXGCXPOGEFO-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.73
Rot. Bonds5

About N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine

N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114849168) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
PubChem CID114849168
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCN(C2CC2)CC1
InChIInChI=1S/C16H24ClN3/c1-2-18-12-13-3-4-14(17)11-16(13)20-9-7-19(8-10-20)15-5-6-15/h3-4,11,15,18H,2,5-10,12H2,1H3
InChIKeyBOBIXGCXPOGEFO-UHFFFAOYSA-N
XLogP2.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 114849159
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 114849158
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851009
2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
N-[[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 81149173
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62369129
N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81248099

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine (CID 114849168) is N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1N1CCN(C2CC2)CC1.
What is the InChIKey of N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is BOBIXGCXPOGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-2-18-12-13-3-4-14(17)11-16(13)20-9-7-19(8-10-20)15-5-6-15/h3-4,11,15,18H,2,5-10,12H2,1H3.
What are the key properties of N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 293.84 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114849168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).