N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine

C15H19N3O — CID 60842321

IUPACN-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
SMILESCCOc1ccc(-c2cnc(CNC3CC3)[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-2-19-13-7-3-11(4-8-13)14-9-17-15(18-14)10-16-12-5-6-12/h3-4,7-9,12,16H,2,5-6,10H2,1H3,(H,17,18)
InChIKeyPXNMWMINKQVMOZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.73
Rot. Bonds6

About N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine

N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 60842321) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
PubChem CID60842321
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
SMILESCCOc1ccc(-c2cnc(CNC3CC3)[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-2-19-13-7-3-11(4-8-13)14-9-17-15(18-14)10-16-12-5-6-12/h3-4,7-9,12,16H,2,5-6,10H2,1H3,(H,17,18)
InChIKeyPXNMWMINKQVMOZ-UHFFFAOYSA-N
XLogP2.73
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60841056
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60849821
N-[[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851239
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
N-[(5-ethyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 82239451
5-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733698
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 60702922
N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867861

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine (CID 60842321) is N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine is CCOc1ccc(-c2cnc(CNC3CC3)[nH]2)cc1.
What is the InChIKey of N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is PXNMWMINKQVMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-13-7-3-11(4-8-13)14-9-17-15(18-14)10-16-12-5-6-12/h3-4,7-9,12,16H,2,5-6,10H2,1H3,(H,17,18).
What are the key properties of N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 257.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 60842321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).