N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

C15H19N3O — CID 106719791

IUPACN-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Cn2cnc(CNC3CC3)c2)cc1
InChIInChI=1S/C15H19N3O/c1-19-15-6-2-12(3-7-15)9-18-10-14(17-11-18)8-16-13-4-5-13/h2-3,6-7,10-11,13,16H,4-5,8-9H2,1H3
InChIKeyCGMYPGZZDIARBZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106719791) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106719791
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Cn2cnc(CNC3CC3)c2)cc1
InChIInChI=1S/C15H19N3O/c1-19-15-6-2-12(3-7-15)9-18-10-14(17-11-18)8-16-13-4-5-13/h2-3,6-7,10-11,13,16H,4-5,8-9H2,1H3
InChIKeyCGMYPGZZDIARBZ-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719934
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719982
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66204621
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719785

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 106719791) is N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is COc1ccc(Cn2cnc(CNC3CC3)c2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CGMYPGZZDIARBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-6-2-12(3-7-15)9-18-10-14(17-11-18)8-16-13-4-5-13/h2-3,6-7,10-11,13,16H,4-5,8-9H2,1H3.
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 257.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106719791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).