N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine

C17H23N3O — CID 62018191

IUPACN-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
SMILESCCc1nccn1Cc1cc(CNC2CC2)ccc1OC
InChIInChI=1S/C17H23N3O/c1-3-17-18-8-9-20(17)12-14-10-13(4-7-16(14)21-2)11-19-15-5-6-15/h4,7-10,15,19H,3,5-6,11-12H2,1-2H3
InChIKeyHQQMHROWERHBKN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.75
Rot. Bonds7

About N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine

N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 62018191) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
PubChem CID62018191
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
SMILESCCc1nccn1Cc1cc(CNC2CC2)ccc1OC
InChIInChI=1S/C17H23N3O/c1-3-17-18-8-9-20(17)12-14-10-13(4-7-16(14)21-2)11-19-15-5-6-15/h4,7-10,15,19H,3,5-6,11-12H2,1-2H3
InChIKeyHQQMHROWERHBKN-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
methyl 2-amino-3-[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]propanoate
CID 170884510
N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 62737898
N-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62017814
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 42818895
N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
CID 105348638
3-[[5-[(cyclopropylamino)methyl]-2-methoxyphenyl]methyl]-1,3-oxazolidin-2-one
CID 62018003
N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63982071
N-[[4-methoxy-3-[[methyl(pentan-3-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017227
N-[[3-(tert-butylsulfanylmethyl)-4-methoxyphenyl]methyl]cyclopropanamine
CID 64614472

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine (CID 62018191) is N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine is CCc1nccn1Cc1cc(CNC2CC2)ccc1OC.
What is the InChIKey of N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is HQQMHROWERHBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-17-18-8-9-20(17)12-14-10-13(4-7-16(14)21-2)11-19-15-5-6-15/h4,7-10,15,19H,3,5-6,11-12H2,1-2H3.
What are the key properties of N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine?
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62018191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).