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

C17H21N3O — CID 66154634

IUPACN-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESc1cc(OCc2cncn2C2CC2)ccc1CNC1CC1
InChIInChI=1S/C17H21N3O/c1-7-17(8-2-13(1)9-19-14-3-4-14)21-11-16-10-18-12-20(16)15-5-6-15/h1-2,7-8,10,12,14-15,19H,3-6,9,11H2
InChIKeyRMXLOPOETIZISX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.05
Rot. Bonds7

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

N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 66154634) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID66154634
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESc1cc(OCc2cncn2C2CC2)ccc1CNC1CC1
InChIInChI=1S/C17H21N3O/c1-7-17(8-2-13(1)9-19-14-3-4-14)21-11-16-10-18-12-20(16)15-5-6-15/h1-2,7-8,10,12,14-15,19H,3-6,9,11H2
InChIKeyRMXLOPOETIZISX-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66142318
4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
CID 66152915
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782688
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine
CID 114117964
5-[(4-bromo-3-fluorophenoxy)methyl]-1-cyclopropylimidazole
CID 66152904
4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
CID 114331505
5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole
CID 80641562
5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683380
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 66154634) is N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine is c1cc(OCc2cncn2C2CC2)ccc1CNC1CC1.
What is the InChIKey of N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is RMXLOPOETIZISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-7-17(8-2-13(1)9-19-14-3-4-14)21-11-16-10-18-12-20(16)15-5-6-15/h1-2,7-8,10,12,14-15,19H,3-6,9,11H2.
What are the key properties of N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 283.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66154634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).