[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine

C13H16ClN3 — CID 114076779

IUPAC[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
SMILESCCn1ccnc1Cc1ccc(Cl)c(CN)c1
InChIInChI=1S/C13H16ClN3/c1-2-17-6-5-16-13(17)8-10-3-4-12(14)11(7-10)9-15/h3-7H,2,8-9,15H2,1H3
InChIKeyRUWKJZHZASRDLH-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.61
Rot. Bonds4

About [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine

[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine (PubChem CID 114076779) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
PubChem CID114076779
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
SMILESCCn1ccnc1Cc1ccc(Cl)c(CN)c1
InChIInChI=1S/C13H16ClN3/c1-2-17-6-5-16-13(17)8-10-3-4-12(14)11(7-10)9-15/h3-7H,2,8-9,15H2,1H3
InChIKeyRUWKJZHZASRDLH-UHFFFAOYSA-N
XLogP2.61
TPSA43.84 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(1-ethylimidazol-2-yl)methyl]aniline
CID 107615879
[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine
CID 79737643
N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine
CID 82772155
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
CID 79738348
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine
CID 79739014
2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
CID 82561970
5-[(1-ethylimidazol-2-yl)methyl]-2-hydroxybenzonitrile
CID 83130969
5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one
CID 114080985
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine (CID 114076779) is [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine is CCn1ccnc1Cc1ccc(Cl)c(CN)c1.
What is the InChIKey of [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine?
The InChIKey is RUWKJZHZASRDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-17-6-5-16-13(17)8-10-3-4-12(14)11(7-10)9-15/h3-7H,2,8-9,15H2,1H3.
What are the key properties of [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine?
[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine has a molecular weight of 249.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 114076779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).