1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

C13H17N3O — CID 62748131

IUPAC1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCOc1ccccc1CNCc1nc[nH]c1C
InChIInChI=1S/C13H17N3O/c1-10-12(16-9-15-10)8-14-7-11-5-3-4-6-13(11)17-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyNQUDAKZRAREPHY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (PubChem CID 62748131) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
PubChem CID62748131
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCOc1ccccc1CNCc1nc[nH]c1C
InChIInChI=1S/C13H17N3O/c1-10-12(16-9-15-10)8-14-7-11-5-3-4-6-13(11)17-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyNQUDAKZRAREPHY-UHFFFAOYSA-N
XLogP2.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62742307
1-(6-methoxy-3-pyridinyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748169
2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62748309
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 64539293
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol
CID 114331453
1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748347
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 127265972
1-(2-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60719579
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63247799
1-(2-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605023

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (CID 62748131) is 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is COc1ccccc1CNCc1nc[nH]c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The InChIKey is NQUDAKZRAREPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-12(16-9-15-10)8-14-7-11-5-3-4-6-13(11)17-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62748131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).