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

C15H24ClN3 — CID 114847648

IUPACN-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCN(CC)CC1
InChIInChI=1S/C15H24ClN3/c1-3-17-12-13-5-6-14(16)11-15(13)19-9-7-18(4-2)8-10-19/h5-6,11,17H,3-4,7-10,12H2,1-2H3
InChIKeyMDCDHZGESPSQSS-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.59
Rot. Bonds5

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

N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114847648) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
PubChem CID114847648
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCN(CC)CC1
InChIInChI=1S/C15H24ClN3/c1-3-17-12-13-5-6-14(16)11-15(13)19-9-7-18(4-2)8-10-19/h5-6,11,17H,3-4,7-10,12H2,1-2H3
InChIKeyMDCDHZGESPSQSS-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851009
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 114850847
2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848529
N-[[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 114849185
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 114849159
2-[4-[5-chloro-2-(methylaminomethyl)phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223737
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 43280395

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine (CID 114847648) is N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1N1CCN(CC)CC1.
What is the InChIKey of N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is MDCDHZGESPSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-17-12-13-5-6-14(16)11-15(13)19-9-7-18(4-2)8-10-19/h5-6,11,17H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 281.83 g/mol, XLogP of 2.59, 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-ethylpiperazin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114847648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).