2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine

C14H19N3O — CID 116876636

IUPAC2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCOc1ccc(-c2cnc(C(C)CN)[nH]2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-6-11(4-5-13(9)18-3)12-8-16-14(17-12)10(2)7-15/h4-6,8,10H,7,15H2,1-3H3,(H,16,17)
InChIKeyWEFZITROBLRPII-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.46
Rot. Bonds4

About 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine

2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876636) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876636
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCOc1ccc(-c2cnc(C(C)CN)[nH]2)cc1C
InChIInChI=1S/C14H19N3O/c1-9-6-11(4-5-13(9)18-3)12-8-16-14(17-12)10(2)7-15/h4-6,8,10H,7,15H2,1-3H3,(H,16,17)
InChIKeyWEFZITROBLRPII-UHFFFAOYSA-N
XLogP2.46
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544302
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881641
1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651303
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619
2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230425
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883439
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
(1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine
CID 89492565
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine (CID 116876636) is 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine is COc1ccc(-c2cnc(C(C)CN)[nH]2)cc1C.
What is the InChIKey of 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is WEFZITROBLRPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-11(4-5-13(9)18-3)12-8-16-14(17-12)10(2)7-15/h4-6,8,10H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine?
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).