N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine

C15H21N3O2 — CID 94074514

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCOc1c(CNCCc2cnc[nH]2)cccc1OC
InChIInChI=1S/C15H21N3O2/c1-3-20-15-12(5-4-6-14(15)19-2)9-16-8-7-13-10-17-11-18-13/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,18)
InChIKeyLKXOCWUFVCUQDQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds8

About N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine

N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 94074514) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID94074514
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCOc1c(CNCCc2cnc[nH]2)cccc1OC
InChIInChI=1S/C15H21N3O2/c1-3-20-15-12(5-4-6-14(15)19-2)9-16-8-7-13-10-17-11-18-13/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,18)
InChIKeyLKXOCWUFVCUQDQ-UHFFFAOYSA-N
XLogP2.15
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 115645178
2-(1H-imidazol-5-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 46991408
1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 63000716
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206683
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 63002008
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267
N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 126465455
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155511
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine (CID 94074514) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine is CCOc1c(CNCCc2cnc[nH]2)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is LKXOCWUFVCUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-20-15-12(5-4-6-14(15)19-2)9-16-8-7-13-10-17-11-18-13/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 94074514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).