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

C14H17N3O — CID 114203962

IUPACN-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1-n1cnc(CNC2CC2)c1
InChIInChI=1S/C14H17N3O/c1-18-14-5-3-2-4-13(14)17-9-12(16-10-17)8-15-11-6-7-11/h2-5,9-11,15H,6-8H2,1H3
InChIKeyIBSUMFTUMBGJJI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.13
Rot. Bonds5

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

N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 114203962) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID114203962
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1-n1cnc(CNC2CC2)c1
InChIInChI=1S/C14H17N3O/c1-18-14-5-3-2-4-13(14)17-9-12(16-10-17)8-15-11-6-7-11/h2-5,9-11,15H,6-8H2,1H3
InChIKeyIBSUMFTUMBGJJI-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
N-cyclopropyl-1-(2-methoxyphenyl)imidazole-4-carboxamide
CID 166264438
N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114261495
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[[1-(4-bromo-3-fluorophenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114204313
6-[(cyclopropylamino)methyl]-N-(2-methoxyphenyl)-N-methylpyridazin-3-amine
CID 62282714
2-[4-(aminomethyl)imidazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 110121889
N-[[2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63992542
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424057

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine (CID 114203962) is N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine is COc1ccccc1-n1cnc(CNC2CC2)c1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IBSUMFTUMBGJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-14-5-3-2-4-13(14)17-9-12(16-10-17)8-15-11-6-7-11/h2-5,9-11,15H,6-8H2,1H3.
What are the key properties of N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 243.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114203962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).