3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine

C14H19N3O — CID 43650816

IUPAC3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCOc1ccc(C)cc1-c1cnc(CCCN)[nH]1
InChIInChI=1S/C14H19N3O/c1-10-5-6-13(18-2)11(8-10)12-9-16-14(17-12)4-3-7-15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyODXOLONFSDNDMO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.29
Rot. Bonds5

About 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine

3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 43650816) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID43650816
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCOc1ccc(C)cc1-c1cnc(CCCN)[nH]1
InChIInChI=1S/C14H19N3O/c1-10-5-6-13(18-2)11(8-10)12-9-16-14(17-12)4-3-7-15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyODXOLONFSDNDMO-UHFFFAOYSA-N
XLogP2.29
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879145
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
2-bromo-5-(2-methoxy-5-methylphenyl)-1H-imidazole
CID 116884225
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876927
2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881469
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine (CID 43650816) is 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine is COc1ccc(C)cc1-c1cnc(CCCN)[nH]1.
What is the InChIKey of 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is ODXOLONFSDNDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-5-6-13(18-2)11(8-10)12-9-16-14(17-12)4-3-7-15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine?
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 43650816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).