3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C12H13Cl2N3 — CID 114527468

IUPAC3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCn1ccnc1CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-17-7-6-16-12(17)4-5-15-9-2-3-10(13)11(14)8-9/h2-3,6-8,15H,4-5H2,1H3
InChIKeyNOICEPGJCGACGA-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.38
Rot. Bonds4

About 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527468) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527468
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCn1ccnc1CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-17-7-6-16-12(17)4-5-15-9-2-3-10(13)11(14)8-9/h2-3,6-8,15H,4-5H2,1H3
InChIKeyNOICEPGJCGACGA-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527511
3,4-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527460
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527491
N-[2-(1-methylimidazol-2-yl)ethyl]-4-methylsulfanylaniline
CID 114527448
2-bromo-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 107276228
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527755
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
2-amino-N-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 80642729
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine
CID 114046189
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527468) is 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is Cn1ccnc1CCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is NOICEPGJCGACGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-17-7-6-16-12(17)4-5-15-9-2-3-10(13)11(14)8-9/h2-3,6-8,15H,4-5H2,1H3.
What are the key properties of 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 270.16 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).