N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine

C15H21N3 — CID 63976652

IUPACN-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1nccn1C
InChIInChI=1S/C15H21N3/c1-4-16-14(15-17-8-9-18(15)3)11-13-7-5-6-12(2)10-13/h5-10,14,16H,4,11H2,1-3H3
InChIKeyXPVOTOZRXOATED-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.62
Rot. Bonds5

About N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine

N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 63976652) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
PubChem CID63976652
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1nccn1C
InChIInChI=1S/C15H21N3/c1-4-16-14(15-17-8-9-18(15)3)11-13-7-5-6-12(2)10-13/h5-10,14,16H,4,11H2,1-3H3
InChIKeyXPVOTOZRXOATED-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
CID 63976645
N-ethyl-2-(furan-3-yl)-1-(1-methylimidazol-2-yl)ethanamine
CID 83182674
N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63974743
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
CID 63974955
2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 63968122
N-ethyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876707
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 102803003
2-(3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 63974321
N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63975598
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 104794217
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine (CID 63976652) is N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)c1nccn1C.
What is the InChIKey of N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is XPVOTOZRXOATED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-16-14(15-17-8-9-18(15)3)11-13-7-5-6-12(2)10-13/h5-10,14,16H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine?
N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 63976652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).