[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine

C14H21Cl2N3 — CID 80504427

IUPAC[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCC(c1ccc(Cl)cc1Cl)N1CCN(C)CC1CN
InChIInChI=1S/C14H21Cl2N3/c1-10(13-4-3-11(15)7-14(13)16)19-6-5-18(2)9-12(19)8-17/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3
InChIKeyDENNNKMWSREGGZ-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.63
Rot. Bonds3

About [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine

[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 80504427) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID80504427
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCC(c1ccc(Cl)cc1Cl)N1CCN(C)CC1CN
InChIInChI=1S/C14H21Cl2N3/c1-10(13-4-3-11(15)7-14(13)16)19-6-5-18(2)9-12(19)8-17/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3
InChIKeyDENNNKMWSREGGZ-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
[1-[1-(4-bromo-2-chlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 82778837
[1-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505448
[1-[1-(2,4-dimethylphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504410
[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504267
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 80504367
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 80504286
[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505440
[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 113437671
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine (CID 80504427) is [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine is CC(c1ccc(Cl)cc1Cl)N1CCN(C)CC1CN.
What is the InChIKey of [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is DENNNKMWSREGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-10(13-4-3-11(15)7-14(13)16)19-6-5-18(2)9-12(19)8-17/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3.
What are the key properties of [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine?
[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 302.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80504427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).