N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine

C16H23N3 — CID 61326129

IUPACN-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCn2ccnc2)cc1C
InChIInChI=1S/C16H23N3/c1-12-9-14(3)16(10-13(12)2)15(4)18-6-8-19-7-5-17-11-19/h5,7,9-11,15,18H,6,8H2,1-4H3
InChIKeyWIEHKNAMAUYPAJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.16
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine

N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 61326129) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID61326129
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCn2ccnc2)cc1C
InChIInChI=1S/C16H23N3/c1-12-9-14(3)16(10-13(12)2)15(4)18-6-8-19-7-5-17-11-19/h5,7,9-11,15,18H,6,8H2,1-4H3
InChIKeyWIEHKNAMAUYPAJ-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507
1-(2,4-dichloro-5-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 60694556
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol
CID 61326336
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
N-(2-imidazol-1-ylethyl)heptan-2-amine
CID 60688086
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680
N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115878869
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 61326129) is N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCCn2ccnc2)cc1C.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is WIEHKNAMAUYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-9-14(3)16(10-13(12)2)15(4)18-6-8-19-7-5-17-11-19/h5,7,9-11,15,18H,6,8H2,1-4H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 61326129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).