[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine

C15H21N3O — CID 114526998

IUPAC[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCCc1nccn1C
InChIInChI=1S/C15H21N3O/c1-11-8-13(10-16)9-12(2)15(11)19-7-4-14-17-5-6-18(14)3/h5-6,8-9H,4,7,10,16H2,1-3H3
InChIKeyOSGINLOUZYZSGV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds5

About [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine

[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine (PubChem CID 114526998) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
PubChem CID114526998
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCCc1nccn1C
InChIInChI=1S/C15H21N3O/c1-11-8-13(10-16)9-12(2)15(11)19-7-4-14-17-5-6-18(14)3/h5-6,8-9H,4,7,10,16H2,1-3H3
InChIKeyOSGINLOUZYZSGV-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114527174
N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide
CID 114528109
3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527396
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
5-bromo-3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527410
1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
CID 28967044
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
2-[2-[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528447
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528545
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80635374

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine (CID 114526998) is [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine is Cc1cc(CN)cc(C)c1OCCc1nccn1C.
What is the InChIKey of [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is OSGINLOUZYZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-8-13(10-16)9-12(2)15(11)19-7-4-14-17-5-6-18(14)3/h5-6,8-9H,4,7,10,16H2,1-3H3.
What are the key properties of [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine?
[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 114526998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).