2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C13H15Cl2N3 — CID 114527755

IUPAC2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCc1cc(Cl)c(NCCc2nccn2C)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-9-7-11(15)12(8-10(9)14)16-4-3-13-17-5-6-18(13)2/h5-8,16H,3-4H2,1-2H3
InChIKeyYSUWXEFNJVUQRG-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.69
Rot. Bonds4

About 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527755) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527755
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCc1cc(Cl)c(NCCc2nccn2C)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-9-7-11(15)12(8-10(9)14)16-4-3-13-17-5-6-18(13)2/h5-8,16H,3-4H2,1-2H3
InChIKeyYSUWXEFNJVUQRG-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine
CID 114046189
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527611
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527506
3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 61212795
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
4-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 63081748
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
CID 61211671

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527755) is 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is Cc1cc(Cl)c(NCCc2nccn2C)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is YSUWXEFNJVUQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-9-7-11(15)12(8-10(9)14)16-4-3-13-17-5-6-18(13)2/h5-8,16H,3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 284.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).