N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine

C16H23N3O — CID 82903206

IUPACN-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)c1cncn1C
InChIInChI=1S/C16H23N3O/c1-4-9-18-14(15-11-17-12-19(15)2)10-13-7-5-6-8-16(13)20-3/h5-8,11-12,14,18H,4,9-10H2,1-3H3
InChIKeyXKLUMQQVGGLCCT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine

N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine (PubChem CID 82903206) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
PubChem CID82903206
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)c1cncn1C
InChIInChI=1S/C16H23N3O/c1-4-9-18-14(15-11-17-12-19(15)2)10-13-7-5-6-8-16(13)20-3/h5-8,11-12,14,18H,4,9-10H2,1-3H3
InChIKeyXKLUMQQVGGLCCT-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82887282
N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
N-[2-(2-chloro-4-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 106866577
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105107566
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82902334
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114660191
N-[1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 102651341
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine (CID 82903206) is N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1OC)c1cncn1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine?
The InChIKey is XKLUMQQVGGLCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-9-18-14(15-11-17-12-19(15)2)10-13-7-5-6-8-16(13)20-3/h5-8,11-12,14,18H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine?
N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82903206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).