1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine

C14H19N3 — CID 79738227

IUPAC1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCn1ccnc1Cc1cccc(CNC)c1
InChIInChI=1S/C14H19N3/c1-3-17-8-7-16-14(17)10-12-5-4-6-13(9-12)11-15-2/h4-9,15H,3,10-11H2,1-2H3
InChIKeyRPPPDHNEQRJMFG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.21
Rot. Bonds5

About 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine

1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 79738227) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID79738227
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCn1ccnc1Cc1cccc(CNC)c1
InChIInChI=1S/C14H19N3/c1-3-17-8-7-16-14(17)10-12-5-4-6-13(9-12)11-15-2/h4-9,15H,3,10-11H2,1-2H3
InChIKeyRPPPDHNEQRJMFG-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
5-[(1-ethylimidazol-2-yl)methyl]-2-hydroxybenzonitrile
CID 83130969
[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
CID 62357927
N-[[3-[(1-ethylimidazol-2-yl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66347289
[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
CID 114076779
N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine
CID 79738919
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine (CID 79738227) is 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine is CCn1ccnc1Cc1cccc(CNC)c1.
What is the InChIKey of 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is RPPPDHNEQRJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17-8-7-16-14(17)10-12-5-4-6-13(9-12)11-15-2/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 79738227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).