N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine

C14H19N3O — CID 61315755

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC)c1nccn1C
InChIInChI=1S/C14H19N3O/c1-4-15-13(14-16-9-10-17(14)2)11-7-5-6-8-12(11)18-3/h5-10,13,15H,4H2,1-3H3
InChIKeyNPKLJSHFURUWJS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds5

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 61315755) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID61315755
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC)c1nccn1C
InChIInChI=1S/C14H19N3O/c1-4-15-13(14-16-9-10-17(14)2)11-7-5-6-8-12(11)18-3/h5-10,13,15H,4H2,1-3H3
InChIKeyNPKLJSHFURUWJS-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 ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 86854923
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[(3-methoxy-4-pyridinyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 105064351
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 78870553
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 61315755) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1ccccc1OC)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is NPKLJSHFURUWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-15-13(14-16-9-10-17(14)2)11-7-5-6-8-12(11)18-3/h5-10,13,15H,4H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 245.33 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-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61315755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).