2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine

C16H26ClN3O2 — CID 83979242

IUPAC2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCN(C)CC2C)c(Cl)c1OC
InChIInChI=1S/C16H26ClN3O2/c1-11-10-19(2)7-8-20(11)13(9-18)12-5-6-14(21-3)16(22-4)15(12)17/h5-6,11,13H,7-10,18H2,1-4H3
InChIKeyLZTSDITXKNLJGW-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.99
Rot. Bonds5

About 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine

2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 83979242) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID83979242
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCN(C)CC2C)c(Cl)c1OC
InChIInChI=1S/C16H26ClN3O2/c1-11-10-19(2)7-8-20(11)13(9-18)12-5-6-14(21-3)16(22-4)15(12)17/h5-6,11,13H,7-10,18H2,1-4H3
InChIKeyLZTSDITXKNLJGW-UHFFFAOYSA-N
XLogP1.99
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979249
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979744
2-(2,4-dimethylpiperazin-1-yl)-2-(4-methoxy-3-propoxyphenyl)ethanamine
CID 83979522
2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 171158059
2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine
CID 83979135
2-(4-bromothiophen-2-yl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 114086348
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171221548
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3,3-difluoropropyl]piperazine
CID 171178940
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine
CID 171308877
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163637

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine (CID 83979242) is 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine is COc1ccc(C(CN)N2CCN(C)CC2C)c(Cl)c1OC.
What is the InChIKey of 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is LZTSDITXKNLJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2/c1-11-10-19(2)7-8-20(11)13(9-18)12-5-6-14(21-3)16(22-4)15(12)17/h5-6,11,13H,7-10,18H2,1-4H3.
What are the key properties of 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine?
2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine has a molecular weight of 327.86 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83979242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).