1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine

C15H21N3 — CID 61308181

IUPAC1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
SMILESCc1cccc(C(N)Cn2ccnc2C(C)C)c1
InChIInChI=1S/C15H21N3/c1-11(2)15-17-7-8-18(15)10-14(16)13-6-4-5-12(3)9-13/h4-9,11,14H,10,16H2,1-3H3
InChIKeyUSIHIXPBPGGLJY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine

1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine (PubChem CID 61308181) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
PubChem CID61308181
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
SMILESCc1cccc(C(N)Cn2ccnc2C(C)C)c1
InChIInChI=1S/C15H21N3/c1-11(2)15-17-7-8-18(15)10-14(16)13-6-4-5-12(3)9-13/h4-9,11,14H,10,16H2,1-3H3
InChIKeyUSIHIXPBPGGLJY-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine (CID 61308181) is 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine is Cc1cccc(C(N)Cn2ccnc2C(C)C)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The InChIKey is USIHIXPBPGGLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)15-17-7-8-18(15)10-14(16)13-6-4-5-12(3)9-13/h4-9,11,14H,10,16H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine is sourced from PubChem (CID 61308181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).