1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine

C14H19N3O — CID 106721079

IUPAC1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1ccc(Cn2cnc(CC(C)N)c2)cc1
InChIInChI=1S/C14H19N3O/c1-11(15)7-13-9-17(10-16-13)8-12-3-5-14(18-2)6-4-12/h3-6,9-11H,7-8,15H2,1-2H3
InChIKeyWFJQGTWSCMTZTM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.83
Rot. Bonds5

About 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine

1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721079) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID106721079
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1ccc(Cn2cnc(CC(C)N)c2)cc1
InChIInChI=1S/C14H19N3O/c1-11(15)7-13-9-17(10-16-13)8-12-3-5-14(18-2)6-4-12/h3-6,9-11H,7-8,15H2,1-2H3
InChIKeyWFJQGTWSCMTZTM-UHFFFAOYSA-N
XLogP1.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721100
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721184
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile
CID 106721101
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine (CID 106721079) is 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine is COc1ccc(Cn2cnc(CC(C)N)c2)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is WFJQGTWSCMTZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(15)7-13-9-17(10-16-13)8-12-3-5-14(18-2)6-4-12/h3-6,9-11H,7-8,15H2,1-2H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).