1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

C13H15Cl2N3 — CID 65230546

IUPAC1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-9(12-6-10(14)2-3-13(12)15)17-5-4-11-7-16-8-18-11/h2-3,6-9,17H,4-5H2,1H3,(H,16,18)
InChIKeyNCKZTZUENZIHAF-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.61
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (PubChem CID 65230546) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
PubChem CID65230546
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-9(12-6-10(14)2-3-13(12)15)17-5-4-11-7-16-8-18-11/h2-3,6-9,17H,4-5H2,1H3,(H,16,18)
InChIKeyNCKZTZUENZIHAF-UHFFFAOYSA-N
XLogP3.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432
1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
CID 65230515
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63983384
1-(2,4-dichloro-5-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62999160
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989
N-[1-(2,5-dichlorophenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196158
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113493904
(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259982
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 63001802

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (CID 65230546) is 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is CC(NCCc1cnc[nH]1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The InChIKey is NCKZTZUENZIHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-9(12-6-10(14)2-3-13(12)15)17-5-4-11-7-16-8-18-11/h2-3,6-9,17H,4-5H2,1H3,(H,16,18).
What are the key properties of 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 65230546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).