N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine

C17H25N3 — CID 105149854

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccccc1C)c1nccn1CC
InChIInChI=1S/C17H25N3/c1-4-18-16(17-19-12-13-20(17)5-2)11-10-15-9-7-6-8-14(15)3/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3
InChIKeyHQYSIWCPNGIYRC-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.49
Rot. Bonds7

About N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 105149854) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
PubChem CID105149854
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccccc1C)c1nccn1CC
InChIInChI=1S/C17H25N3/c1-4-18-16(17-19-12-13-20(17)5-2)11-10-15-9-7-6-8-14(15)3/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3
InChIKeyHQYSIWCPNGIYRC-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
CID 63967928
3-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 105149887
N-ethyl-1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanamine
CID 63968337
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
CID 63974955
1-(1-ethylimidazol-2-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105149718
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 105120553
1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105098854
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine
CID 66096354
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
CID 115622275
N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182279
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105094779

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine (CID 105149854) is N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine is CCNC(CCc1ccccc1C)c1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is HQYSIWCPNGIYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-18-16(17-19-12-13-20(17)5-2)11-10-15-9-7-6-8-14(15)3/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105149854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).