2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine

C15H21N3O — CID 114705530

IUPAC2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
SMILESCCCOc1ccc(-n2cncc2C(C)(C)N)cc1
InChIInChI=1S/C15H21N3O/c1-4-9-19-13-7-5-12(6-8-13)18-11-17-10-14(18)15(2,3)16/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyXVZSSQGIDQOZHT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.85
Rot. Bonds5

About 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine

2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine (PubChem CID 114705530) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
PubChem CID114705530
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
SMILESCCCOc1ccc(-n2cncc2C(C)(C)N)cc1
InChIInChI=1S/C15H21N3O/c1-4-9-19-13-7-5-12(6-8-13)18-11-17-10-14(18)15(2,3)16/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyXVZSSQGIDQOZHT-UHFFFAOYSA-N
XLogP2.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-pyridin-4-ylimidazol-4-yl)propan-2-amine
CID 114703697
4-(4-propoxyphenyl)-1,2,4-triazole
CID 91684257
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687258
4-(4-propoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 62329532
2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307
2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114706711
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
N-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569632
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756
3-methyl-1-N-(4-propoxyphenyl)butane-1,3-diamine
CID 112753914

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine (CID 114705530) is 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine is CCCOc1ccc(-n2cncc2C(C)(C)N)cc1.
What is the InChIKey of 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine?
The InChIKey is XVZSSQGIDQOZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-9-19-13-7-5-12(6-8-13)18-11-17-10-14(18)15(2,3)16/h5-8,10-11H,4,9,16H2,1-3H3.
What are the key properties of 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine?
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114705530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).