1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine

C13H16ClN3 — CID 61316350

IUPAC1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
SMILESCCn1ccnc1C(NC)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3/c1-3-17-9-8-16-13(17)12(15-2)10-4-6-11(14)7-5-10/h4-9,12,15H,3H2,1-2H3
InChIKeyRQNFDJJAIWNRMS-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.87
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine

1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine (PubChem CID 61316350) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
PubChem CID61316350
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
SMILESCCn1ccnc1C(NC)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3/c1-3-17-9-8-16-13(17)12(15-2)10-4-6-11(14)7-5-10/h4-9,12,15H,3H2,1-2H3
InChIKeyRQNFDJJAIWNRMS-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195336
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
N-methyl-1-(4-methylsulfanylphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 79206742
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 79781127
4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
[(5-bromo-2-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308409
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 63022367
1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82903281
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
1-(2,4-dibromophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 107945885

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine (CID 61316350) is 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine is CCn1ccnc1C(NC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
The InChIKey is RQNFDJJAIWNRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-17-9-8-16-13(17)12(15-2)10-4-6-11(14)7-5-10/h4-9,12,15H,3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine?
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 61316350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).