1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine

C14H18ClN3 — CID 82783396

IUPAC1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Cc2nccn2C)cc1Cl
InChIInChI=1S/C14H18ClN3/c1-10(16-2)12-5-4-11(8-13(12)15)9-14-17-6-7-18(14)3/h4-8,10,16H,9H2,1-3H3
InChIKeyWJZZFQVSKIEOEG-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.94
Rot. Bonds4

About 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine

1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine (PubChem CID 82783396) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine
PubChem CID82783396
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Cc2nccn2C)cc1Cl
InChIInChI=1S/C14H18ClN3/c1-10(16-2)12-5-4-11(8-13(12)15)9-14-17-6-7-18(14)3/h4-8,10,16H,9H2,1-3H3
InChIKeyWJZZFQVSKIEOEG-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]ethanamine
CID 82783395
N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine
CID 82772155
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
1-[4-bromo-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947321
(1S)-1-(2-chloro-4-ethylphenyl)-N-methylethanamine;ethane
CID 142237879
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63015017
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
1-(2,5-dichlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214271
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine (CID 82783396) is 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine is CNC(C)c1ccc(Cc2nccn2C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine?
The InChIKey is WJZZFQVSKIEOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(16-2)12-5-4-11(8-13(12)15)9-14-17-6-7-18(14)3/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine?
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine has a molecular weight of 263.77 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 82783396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).