1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine

C13H16ClN3 — CID 106566928

IUPAC1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine
SMILESCCNc1nccn1C(C)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-3-15-13-16-8-9-17(13)10(2)11-6-4-5-7-12(11)14/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyKFWBOCJYLKJFBV-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine

1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine (PubChem CID 106566928) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine
PubChem CID106566928
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine
SMILESCCNc1nccn1C(C)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-3-15-13-16-8-9-17(13)10(2)11-6-4-5-7-12(11)14/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyKFWBOCJYLKJFBV-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106566922
N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567411
1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106566917
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
CID 106583604
1-[1-(dimethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106578657
3-[1-(2-chlorophenyl)ethylamino]-1-ethylpyrazin-2-one
CID 62940758
1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106564573
N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106557059
1-[1-(diethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106566350
1-[1-(2-fluorophenyl)ethyl]-N-phenylimidazol-2-amine
CID 106564561
N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 106571727
(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81379316

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine (CID 106566928) is 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine is CCNc1nccn1C(C)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine?
The InChIKey is KFWBOCJYLKJFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-15-13-16-8-9-17(13)10(2)11-6-4-5-7-12(11)14/h4-10H,3H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine?
1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine has a molecular weight of 249.75 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine is sourced from PubChem (CID 106566928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).