N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine

C16H21N3O — CID 116779834

IUPACN-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(c1ccccc1)c1ncc(CNC2CC2)[nH]1
InChIInChI=1S/C16H21N3O/c1-2-20-15(12-6-4-3-5-7-12)16-18-11-14(19-16)10-17-13-8-9-13/h3-7,11,13,15,17H,2,8-10H2,1H3,(H,18,19)
InChIKeyARSBXNZMIRKXFT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.79
Rot. Bonds7

About N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine

N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine (PubChem CID 116779834) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
PubChem CID116779834
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(c1ccccc1)c1ncc(CNC2CC2)[nH]1
InChIInChI=1S/C16H21N3O/c1-2-20-15(12-6-4-3-5-7-12)16-18-11-14(19-16)10-17-13-8-9-13/h3-7,11,13,15,17H,2,8-10H2,1H3,(H,18,19)
InChIKeyARSBXNZMIRKXFT-UHFFFAOYSA-N
XLogP2.79
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]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-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109128
N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 63108999
N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 55178632
N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 116732169
2-[ethoxy(phenyl)methyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481314
N-[(5-ethyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 82239451
N-[[2-[(2-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 66143136
N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109014
3-[ethoxy(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one
CID 136964550
N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 65093739
N-[[2-[(3,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109075
4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
CID 62742743

Frequently Asked Questions

What is the IUPAC name of N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine (CID 116779834) is N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine is CCOC(c1ccccc1)c1ncc(CNC2CC2)[nH]1.
What is the InChIKey of N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The InChIKey is ARSBXNZMIRKXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-15(12-6-4-3-5-7-12)16-18-11-14(19-16)10-17-13-8-9-13/h3-7,11,13,15,17H,2,8-10H2,1H3,(H,18,19).
What are the key properties of N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[ethoxy(phenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116779834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).