2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine

C15H21N3O — CID 116876649

IUPAC2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCCc1ccc(OC)c(-c2cnc(C(C)CN)[nH]2)c1
InChIInChI=1S/C15H21N3O/c1-4-11-5-6-14(19-3)12(7-11)13-9-17-15(18-13)10(2)8-16/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyQXDPVCCDIKSKIV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds5

About 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine

2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876649) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876649
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCCc1ccc(OC)c(-c2cnc(C(C)CN)[nH]2)c1
InChIInChI=1S/C15H21N3O/c1-4-11-5-6-14(19-3)12(7-11)13-9-17-15(18-13)10(2)8-16/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyQXDPVCCDIKSKIV-UHFFFAOYSA-N
XLogP2.71
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880798
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65233468
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65232799
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544597
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutanenitrile
CID 116883231
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882865

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine (CID 116876649) is 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine is CCc1ccc(OC)c(-c2cnc(C(C)CN)[nH]2)c1.
What is the InChIKey of 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is QXDPVCCDIKSKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-11-5-6-14(19-3)12(7-11)13-9-17-15(18-13)10(2)8-16/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine?
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).