N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

C17H23N3O — CID 62440828

IUPACN-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1ncn(CCOc2cccc(CNC3CC3)c2)c1C
InChIInChI=1S/C17H23N3O/c1-13-14(2)20(12-19-13)8-9-21-17-5-3-4-15(10-17)11-18-16-6-7-16/h3-5,10,12,16,18H,6-9,11H2,1-2H3
InChIKeyPJLOOVIKWZTAEA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds7

About N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine

N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 62440828) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID62440828
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCc1ncn(CCOc2cccc(CNC3CC3)c2)c1C
InChIInChI=1S/C17H23N3O/c1-13-14(2)20(12-19-13)8-9-21-17-5-3-4-15(10-17)11-18-16-6-7-16/h3-5,10,12,16,18H,6-9,11H2,1-2H3
InChIKeyPJLOOVIKWZTAEA-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62440640
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62446801
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66151762
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 62440828) is N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is Cc1ncn(CCOc2cccc(CNC3CC3)c2)c1C.
What is the InChIKey of N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is PJLOOVIKWZTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-14(2)20(12-19-13)8-9-21-17-5-3-4-15(10-17)11-18-16-6-7-16/h3-5,10,12,16,18H,6-9,11H2,1-2H3.
What are the key properties of N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62440828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).