(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine

C15H21N3 — CID 114066424

IUPAC(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
SMILESCCCc1nccn1-c1ccc([C@H](N)CC)cc1
InChIInChI=1S/C15H21N3/c1-3-5-15-17-10-11-18(15)13-8-6-12(7-9-13)14(16)4-2/h6-11,14H,3-5,16H2,1-2H3/t14-/m1/s1
InChIKeyXWXHUFUNYUBREF-CQSZACIVSA-N
MW243.35 g/mol
LogP3.23
Rot. Bonds5

About (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine

(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine (PubChem CID 114066424) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
PubChem CID114066424
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
SMILESCCCc1nccn1-c1ccc([C@H](N)CC)cc1
InChIInChI=1S/C15H21N3/c1-3-5-15-17-10-11-18(15)13-8-6-12(7-9-13)14(16)4-2/h6-11,14H,3-5,16H2,1-2H3/t14-/m1/s1
InChIKeyXWXHUFUNYUBREF-CQSZACIVSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
CID 79170583
1-(4-pyrazol-1-ylphenyl)propan-1-amine
CID 103693301
N-methyl-1-[5-(2-propylimidazol-1-yl)-2-pyridinyl]ethanamine
CID 83127825
1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone
CID 104613159
2-octyl-1-phenylimidazole
CID 70493166
1-[3-(chloromethyl)phenyl]-2-propylimidazole
CID 112594438
2-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 116798084
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
1-[2-(2-propylimidazol-1-yl)phenyl]propan-1-ol
CID 112679064
3-(2-propylimidazol-1-yl)quinoline
CID 50972942
2-(1-pyridin-4-ylimidazol-2-yl)ethanamine
CID 62409640
5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine
CID 114011755

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine (CID 114066424) is (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine is CCCc1nccn1-c1ccc([C@H](N)CC)cc1.
What is the InChIKey of (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine?
The InChIKey is XWXHUFUNYUBREF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-5-15-17-10-11-18(15)13-8-6-12(7-9-13)14(16)4-2/h6-11,14H,3-5,16H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine?
(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 114066424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).