(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine

C16H23N3 — CID 104942663

IUPAC(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-4-15(17)16-9-18-11-19(16)10-13-5-7-14(8-6-13)12(2)3/h5-9,11-12,15H,4,10,17H2,1-3H3/t15-/m1/s1
InChIKeyCSUMLLZTANYJOM-OAHLLOKOSA-N
MW257.38 g/mol
LogP3.46
Rot. Bonds5

About (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine (PubChem CID 104942663) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine
PubChem CID104942663
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-4-15(17)16-9-18-11-19(16)10-13-5-7-14(8-6-13)12(2)3/h5-9,11-12,15H,4,10,17H2,1-3H3/t15-/m1/s1
InChIKeyCSUMLLZTANYJOM-OAHLLOKOSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine (CID 104942663) is (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1Cc1ccc(C(C)C)cc1.
What is the InChIKey of (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine?
The InChIKey is CSUMLLZTANYJOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-15(17)16-9-18-11-19(16)10-13-5-7-14(8-6-13)12(2)3/h5-9,11-12,15H,4,10,17H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104942663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).