(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine

C18H27N3 — CID 104943198

IUPAC(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
SMILESCC(C)CCC(C)n1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C18H27N3/c1-14(2)9-10-15(3)21-13-20-12-18(21)17(19)11-16-7-5-4-6-8-16/h4-8,12-15,17H,9-11,19H2,1-3H3/t15?,17-/m1/s1
InChIKeyCLTXIWLAOZPQLI-OMOCHNIRSA-N
MW285.44 g/mol
LogP4.12
Rot. Bonds7

About (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine

(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine (PubChem CID 104943198) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
PubChem CID104943198
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
SMILESCC(C)CCC(C)n1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C18H27N3/c1-14(2)9-10-15(3)21-13-20-12-18(21)17(19)11-16-7-5-4-6-8-16/h4-8,12-15,17H,9-11,19H2,1-3H3/t15?,17-/m1/s1
InChIKeyCLTXIWLAOZPQLI-OMOCHNIRSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine (CID 104943198) is (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine is CC(C)CCC(C)n1cncc1[C@H](N)Cc1ccccc1.
What is the InChIKey of (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The InChIKey is CLTXIWLAOZPQLI-OMOCHNIRSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)9-10-15(3)21-13-20-12-18(21)17(19)11-16-7-5-4-6-8-16/h4-8,12-15,17H,9-11,19H2,1-3H3/t15?,17-/m1/s1.
What are the key properties of (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine?
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine has a molecular weight of 285.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine is sourced from PubChem (CID 104943198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).