N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine

C13H16ClN3 — CID 106566702

IUPACN-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
SMILESCc1cn(C)c(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN3/c1-9-8-17(3)13(15-9)16-10(2)11-5-4-6-12(14)7-11/h4-8,10H,1-3H3,(H,15,16)
InChIKeySDCFVNJZFFTVQX-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine

N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine (PubChem CID 106566702) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
PubChem CID106566702
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
SMILESCc1cn(C)c(NC(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN3/c1-9-8-17(3)13(15-9)16-10(2)11-5-4-6-12(14)7-11/h4-8,10H,1-3H3,(H,15,16)
InChIKeySDCFVNJZFFTVQX-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903529
1,4-dimethyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562229
N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine
CID 106564464
1-[1-(3-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106566703
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(3-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730906
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 42909642

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine (CID 106566702) is N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine is Cc1cn(C)c(NC(C)c2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine?
The InChIKey is SDCFVNJZFFTVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-8-17(3)13(15-9)16-10(2)11-5-4-6-12(14)7-11/h4-8,10H,1-3H3,(H,15,16).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine?
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine has a molecular weight of 249.75 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106566702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).