2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine

C19H17N5 — CID 11695362

IUPAC2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine
SMILESNC(Cc1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C19H17N5/c20-16(10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)17-18-19(23-11-21-17)24-12-22-18/h1-9,11-12,16H,10,20H2,(H,21,22,23,24)
InChIKeyHJFKANRRGGLIMD-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.26
Rot. Bonds4

About 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine

2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine (PubChem CID 11695362) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine
PubChem CID11695362
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine
SMILESNC(Cc1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C19H17N5/c20-16(10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)17-18-19(23-11-21-17)24-12-22-18/h1-9,11-12,16H,10,20H2,(H,21,22,23,24)
InChIKeyHJFKANRRGGLIMD-UHFFFAOYSA-N
XLogP3.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine?
The IUPAC name of 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine (CID 11695362) is 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine.
What is the SMILES notation for 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine?
The canonical SMILES for 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine is NC(Cc1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine?
The InChIKey is HJFKANRRGGLIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-16(10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)17-18-19(23-11-21-17)24-12-22-18/h1-9,11-12,16H,10,20H2,(H,21,22,23,24).
What are the key properties of 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine?
2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine has a molecular weight of 315.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(7H-purin-6-yl)phenyl]ethanamine is sourced from PubChem (CID 11695362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).