N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine

C13H17N3O — CID 82682280

IUPACN-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1ncc[nH]1
InChIInChI=1S/C13H17N3O/c1-17-12-5-3-2-4-11(12)6-7-14-10-13-15-8-9-16-13/h2-5,8-9,14H,6-7,10H2,1H3,(H,15,16)
InChIKeyFIPKLGAMWIKFCS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.75
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine

N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 82682280) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
PubChem CID82682280
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1ncc[nH]1
InChIInChI=1S/C13H17N3O/c1-17-12-5-3-2-4-11(12)6-7-14-10-13-15-8-9-16-13/h2-5,8-9,14H,6-7,10H2,1H3,(H,15,16)
InChIKeyFIPKLGAMWIKFCS-UHFFFAOYSA-N
XLogP1.75
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001121
1-(5-bromo-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63820703
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 63001644
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
N-(1H-imidazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 119126165
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 103953076
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
CID 115650170
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine (CID 82682280) is N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CCNCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is FIPKLGAMWIKFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-12-5-3-2-4-11(12)6-7-14-10-13-15-8-9-16-13/h2-5,8-9,14H,6-7,10H2,1H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine?
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 82682280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).