2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine

C15H21N3 — CID 79982797

IUPAC2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCC(C)c1ccc(Cn2cnc(CCN)c2)cc1
InChIInChI=1S/C15H21N3/c1-12(2)14-5-3-13(4-6-14)9-18-10-15(7-8-16)17-11-18/h3-6,10-12H,7-9,16H2,1-2H3
InChIKeyKYZKVEUGSZJBRY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine

2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 79982797) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID79982797
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCC(C)c1ccc(Cn2cnc(CCN)c2)cc1
InChIInChI=1S/C15H21N3/c1-12(2)14-5-3-13(4-6-14)9-18-10-15(7-8-16)17-11-18/h3-6,10-12H,7-9,16H2,1-2H3
InChIKeyKYZKVEUGSZJBRY-UHFFFAOYSA-N
XLogP2.56
TPSA43.84 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 103040930
2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 82930056
2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]ethanamine
CID 96663652
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983157
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79982620
2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79983345
1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide
CID 81340177
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720538
2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine
CID 79982358
2-[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-4-yl]ethanamine
CID 79982536
2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983158

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine (CID 79982797) is 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine is CC(C)c1ccc(Cn2cnc(CCN)c2)cc1.
What is the InChIKey of 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is KYZKVEUGSZJBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)14-5-3-13(4-6-14)9-18-10-15(7-8-16)17-11-18/h3-6,10-12H,7-9,16H2,1-2H3.
What are the key properties of 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79982797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).