(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine

C13H17N3O — CID 106791541

IUPAC(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCOc1cc(C)ccc1C(N)c1nccn1C
InChIInChI=1S/C13H17N3O/c1-9-4-5-10(11(8-9)17-3)12(14)13-15-6-7-16(13)2/h4-8,12H,14H2,1-3H3
InChIKeyRIKAUWNQEIQTSA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.79
Rot. Bonds3

About (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine

(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine (PubChem CID 106791541) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
PubChem CID106791541
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCOc1cc(C)ccc1C(N)c1nccn1C
InChIInChI=1S/C13H17N3O/c1-9-4-5-10(11(8-9)17-3)12(14)13-15-6-7-16(13)2/h4-8,12H,14H2,1-3H3
InChIKeyRIKAUWNQEIQTSA-UHFFFAOYSA-N
XLogP1.79
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 103523504
(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
CID 52983573
(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 81278716
(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102950782
(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 9115286
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 106791871
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049774
(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 63650710
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
CID 63974752

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine (CID 106791541) is (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine is COc1cc(C)ccc1C(N)c1nccn1C.
What is the InChIKey of (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The InChIKey is RIKAUWNQEIQTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-10(11(8-9)17-3)12(14)13-15-6-7-16(13)2/h4-8,12H,14H2,1-3H3.
What are the key properties of (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 106791541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).