N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

C16H23N3 — CID 43498005

IUPACN-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1ccc(CC)cc1
InChIInChI=1S/C16H23N3/c1-3-9-17-15(12-16-18-10-11-19-16)14-7-5-13(4-2)6-8-14/h5-8,10-11,15,17H,3-4,9,12H2,1-2H3,(H,18,19)
InChIKeyBLGVEANYIQGNIH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.26
Rot. Bonds7

About N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (PubChem CID 43498005) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
PubChem CID43498005
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1ccc(CC)cc1
InChIInChI=1S/C16H23N3/c1-3-9-17-15(12-16-18-10-11-19-16)14-7-5-13(4-2)6-8-14/h5-8,10-11,15,17H,3-4,9,12H2,1-2H3,(H,18,19)
InChIKeyBLGVEANYIQGNIH-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487092
N-[1-(3-bromo-4-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81471845
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61082232
N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498082
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
N-[1-(4-bromo-2-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43629894
N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498011
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493333
N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81115344
N-[1-(2,5-dibromothiophen-3-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114021154
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 102882783

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (CID 43498005) is N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ncc[nH]1)c1ccc(CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is BLGVEANYIQGNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-9-17-15(12-16-18-10-11-19-16)14-7-5-13(4-2)6-8-14/h5-8,10-11,15,17H,3-4,9,12H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43498005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).