2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine

C14H19N3O — CID 16786819

IUPAC2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(N)Cn2ccnc2)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)18-13-5-3-12(4-6-13)14(15)9-17-8-7-16-10-17/h3-8,10-11,14H,9,15H2,1-2H3
InChIKeyLMOZWKJGTUMZMA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.37
Rot. Bonds5

About 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine

2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 16786819) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID16786819
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(N)Cn2ccnc2)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)18-13-5-3-12(4-6-13)14(15)9-17-8-7-16-10-17/h3-8,10-11,14H,9,15H2,1-2H3
InChIKeyLMOZWKJGTUMZMA-UHFFFAOYSA-N
XLogP2.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
2-imidazol-1-yl-1-thiophen-3-ylethanamine
CID 130835014
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-imidazol-1-ylethanamine
CID 16641652
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 61212248
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 116933874
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
1-[4-(4-fluorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-ol
CID 70526340

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine (CID 16786819) is 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(N)Cn2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is LMOZWKJGTUMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)18-13-5-3-12(4-6-13)14(15)9-17-8-7-16-10-17/h3-8,10-11,14H,9,15H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine?
2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 16786819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).