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

C15H21N3 — CID 79738825

IUPACN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2nccn2CC)cc1
InChIInChI=1S/C15H21N3/c1-3-16-12-14-7-5-13(6-8-14)11-15-17-9-10-18(15)4-2/h5-10,16H,3-4,11-12H2,1-2H3
InChIKeyGRUOKKVBZDUCEJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.60
Rot. Bonds6

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

N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 79738825) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
PubChem CID79738825
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cc2nccn2CC)cc1
InChIInChI=1S/C15H21N3/c1-3-16-12-14-7-5-13(6-8-14)11-15-17-9-10-18(15)4-2/h5-10,16H,3-4,11-12H2,1-2H3
InChIKeyGRUOKKVBZDUCEJ-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
5-[(1-ethylimidazol-2-yl)methyl]-2-hydroxybenzonitrile
CID 83130969
1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 91928165
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-ethyl-4-(1-ethylimidazol-2-yl)but-2-yn-1-amine
CID 114497927
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine (CID 79738825) is N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(Cc2nccn2CC)cc1.
What is the InChIKey of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is GRUOKKVBZDUCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-12-14-7-5-13(6-8-14)11-15-17-9-10-18(15)4-2/h5-10,16H,3-4,11-12H2,1-2H3.
What are the key properties of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine?
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 79738825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).