N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline

C13H17N3O — CID 59708993

IUPACN-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
SMILESCCN(Cc1ncc[nH]1)c1cccc(OC)c1
InChIInChI=1S/C13H17N3O/c1-3-16(10-13-14-7-8-15-13)11-5-4-6-12(9-11)17-2/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyYRTBDFDDCLJDED-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.44
Rot. Bonds5

About N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline

N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline (PubChem CID 59708993) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
PubChem CID59708993
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
SMILESCCN(Cc1ncc[nH]1)c1cccc(OC)c1
InChIInChI=1S/C13H17N3O/c1-3-16(10-13-14-7-8-15-13)11-5-4-6-12(9-11)17-2/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyYRTBDFDDCLJDED-UHFFFAOYSA-N
XLogP2.44
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-ethyl-3-methoxyanilino)propanenitrile
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2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
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N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol
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N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283
1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 43162782
2-[2-bromo-3-(3-methoxyphenyl)propyl]-1H-imidazole
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N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
CID 6603723
N-ethyl-3-methoxy-N-methylaniline
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N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
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N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline?
The IUPAC name of N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline (CID 59708993) is N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline?
The canonical SMILES for N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline is CCN(Cc1ncc[nH]1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline?
The InChIKey is YRTBDFDDCLJDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16(10-13-14-7-8-15-13)11-5-4-6-12(9-11)17-2/h4-9H,3,10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline?
N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline has a molecular weight of 231.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline is sourced from PubChem (CID 59708993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).