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

C14H21N3O — CID 120969269

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(C)cc1CCNC1=NCCN1C
InChIInChI=1S/C14H21N3O/c1-11-4-5-13(18-3)12(10-11)6-7-15-14-16-8-9-17(14)2/h4-5,10H,6-9H2,1-3H3,(H,15,16)
InChIKeyXRQMJKIIBUSSJA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.44
Rot. Bonds4

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

N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120969269) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120969269
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(C)cc1CCNC1=NCCN1C
InChIInChI=1S/C14H21N3O/c1-11-4-5-13(18-3)12(10-11)6-7-15-14-16-8-9-17(14)2/h4-5,10H,6-9H2,1-3H3,(H,15,16)
InChIKeyXRQMJKIIBUSSJA-UHFFFAOYSA-N
XLogP1.44
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
2-methoxy-5-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide;hydroiodide
CID 120971940
N-[(2-ethoxy-4-methylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971604
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969682
2-[2-(2-methoxy-5-methylphenyl)ethylamino]ethanethiol
CID 115224182
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971296
1-methyl-N-[2-(3-nitrophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 120971867

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120969269) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is COc1ccc(C)cc1CCNC1=NCCN1C.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is XRQMJKIIBUSSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-5-13(18-3)12(10-11)6-7-15-14-16-8-9-17(14)2/h4-5,10H,6-9H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 247.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).