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

C15H19N3O — CID 42818895

IUPACN-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESCOc1cccc(Cn2ccnc2CNC2CC2)c1
InChIInChI=1S/C15H19N3O/c1-19-14-4-2-3-12(9-14)11-18-8-7-16-15(18)10-17-13-5-6-13/h2-4,7-9,13,17H,5-6,10-11H2,1H3
InChIKeyWYKPAZIKGRDJDK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds6

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

N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 42818895) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
PubChem CID42818895
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESCOc1cccc(Cn2ccnc2CNC2CC2)c1
InChIInChI=1S/C15H19N3O/c1-19-14-4-2-3-12(9-14)11-18-8-7-16-15(18)10-17-13-5-6-13/h2-4,7-9,13,17H,5-6,10-11H2,1H3
InChIKeyWYKPAZIKGRDJDK-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-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
CID 24715482
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
N-[[1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65446788
N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222363
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62223052
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile
CID 107883281
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62018191
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819974
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine (CID 42818895) is N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine is COc1cccc(Cn2ccnc2CNC2CC2)c1.
What is the InChIKey of N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is WYKPAZIKGRDJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-4-2-3-12(9-14)11-18-8-7-16-15(18)10-17-13-5-6-13/h2-4,7-9,13,17H,5-6,10-11H2,1H3.
What are the key properties of N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-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-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 42818895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).