N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine

C15H19N3O — CID 66142318

IUPACN-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCn1cncc1COc1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H19N3O/c1-18-11-16-9-14(18)10-19-15-6-2-12(3-7-15)8-17-13-4-5-13/h2-3,6-7,9,11,13,17H,4-5,8,10H2,1H3
InChIKeyQVZUYPDLAQXBBW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.25
Rot. Bonds6

About N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 66142318) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID66142318
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCn1cncc1COc1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H19N3O/c1-18-11-16-9-14(18)10-19-15-6-2-12(3-7-15)8-17-13-4-5-13/h2-3,6-7,9,11,13,17H,4-5,8,10H2,1H3
InChIKeyQVZUYPDLAQXBBW-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66154634
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66142118
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39366709
1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 119109850
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 66142318) is N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine is Cn1cncc1COc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is QVZUYPDLAQXBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-11-16-9-14(18)10-19-15-6-2-12(3-7-15)8-17-13-4-5-13/h2-3,6-7,9,11,13,17H,4-5,8,10H2,1H3.
What are the key properties of N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 257.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66142318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).