1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine

C13H19N3O — CID 120970313

IUPAC1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCc1ccccc1OCCNC1=NCCN1C
InChIInChI=1S/C13H19N3O/c1-11-5-3-4-6-12(11)17-10-8-15-13-14-7-9-16(13)2/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyIUALRSYIPULVBQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.26
Rot. Bonds4

About 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120970313) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID120970313
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCc1ccccc1OCCNC1=NCCN1C
InChIInChI=1S/C13H19N3O/c1-11-5-3-4-6-12(11)17-10-8-15-13-14-7-9-16(13)2/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyIUALRSYIPULVBQ-UHFFFAOYSA-N
XLogP1.26
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
1-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 120970611
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970341
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971314
3-chloro-4-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54797567
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969269
1-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971198
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine (CID 120970313) is 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine is Cc1ccccc1OCCNC1=NCCN1C.
What is the InChIKey of 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is IUALRSYIPULVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-5-3-4-6-12(11)17-10-8-15-13-14-7-9-16(13)2/h3-6H,7-10H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 233.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).