[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine

C14H19N3O — CID 60878467

IUPAC[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCCn1ccnc1
InChIInChI=1S/C14H19N3O/c1-11-7-13(9-15)8-12(2)14(11)18-6-5-17-4-3-16-10-17/h3-4,7-8,10H,5-6,9,15H2,1-2H3
InChIKeyQVIIODMGYQMDTO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds5

About [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine

[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine (PubChem CID 60878467) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
PubChem CID60878467
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCCn1ccnc1
InChIInChI=1S/C14H19N3O/c1-11-7-13(9-15)8-12(2)14(11)18-6-5-17-4-3-16-10-17/h3-4,7-8,10H,5-6,9,15H2,1-2H3
InChIKeyQVIIODMGYQMDTO-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
[3-bromo-4-(3-imidazol-1-ylpropoxy)-5-methoxyphenyl]methanamine
CID 61494999
5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide
CID 82914576
[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998
5-bromo-2-(3-imidazol-1-ylpropoxy)-3-methylaniline
CID 79842991
1-[3,5-dibromo-4-(2-imidazol-1-ylethoxy)phenyl]butan-2-amine
CID 107740010
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
CID 28967044
7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
CID 3074198

Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine (CID 60878467) is [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine is Cc1cc(CN)cc(C)c1OCCn1ccnc1.
What is the InChIKey of [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine?
The InChIKey is QVIIODMGYQMDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-7-13(9-15)8-12(2)14(11)18-6-5-17-4-3-16-10-17/h3-4,7-8,10H,5-6,9,15H2,1-2H3.
What are the key properties of [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine?
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 60878467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).