1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine

C14H19N3 — CID 79738325

IUPAC1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCn1ccnc1Cc1ccc(CNC)cc1
InChIInChI=1S/C14H19N3/c1-3-17-9-8-16-14(17)10-12-4-6-13(7-5-12)11-15-2/h4-9,15H,3,10-11H2,1-2H3
InChIKeyIBOPAVYRRBOSFL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.21
Rot. Bonds5

About 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine

1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 79738325) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID79738325
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCn1ccnc1Cc1ccc(CNC)cc1
InChIInChI=1S/C14H19N3/c1-3-17-9-8-16-14(17)10-12-4-6-13(7-5-12)11-15-2/h4-9,15H,3,10-11H2,1-2H3
InChIKeyIBOPAVYRRBOSFL-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

N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
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
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
5-[(1-ethylimidazol-2-yl)methyl]-2-hydroxybenzonitrile
CID 83130969
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558552
2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
CID 82557914
[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
CID 114076779
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-yl]methanamine
CID 62221603
5-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-one
CID 114080985
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine (CID 79738325) is 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine is CCn1ccnc1Cc1ccc(CNC)cc1.
What is the InChIKey of 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is IBOPAVYRRBOSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17-9-8-16-14(17)10-12-4-6-13(7-5-12)11-15-2/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of 1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
1-[4-[(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-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 79738325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).