1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine

C15H23Cl2N3 — CID 103782974

IUPAC1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCN1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2N3/c1-11(13-5-4-6-14(16)15(13)17)18-9-12-10-19(2)7-8-20(12)3/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyYGUXUARMTWUQSE-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.89
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine

1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine (PubChem CID 103782974) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
PubChem CID103782974
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCN1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H23Cl2N3/c1-11(13-5-4-6-14(16)15(13)17)18-9-12-10-19(2)7-8-20(12)3/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyYGUXUARMTWUQSE-UHFFFAOYSA-N
XLogP2.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
CID 103777374
N-[1-(2,3-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 103776344
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63896511
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115718706
N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 63897986
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 103902371
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
2-(2,3-dichlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692567

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine (CID 103782974) is 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine is CC(NCC1CN(C)CCN1C)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The InChIKey is YGUXUARMTWUQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-11(13-5-4-6-14(16)15(13)17)18-9-12-10-19(2)7-8-20(12)3/h4-6,11-12,18H,7-10H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine has a molecular weight of 316.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 103782974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).