N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine

C31H27N — CID 70697311

IUPACN-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine
SMILESCC(NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C31H27N/c1-24(25-13-5-2-6-14-25)32-31(28-17-7-3-8-18-28,29-19-9-4-10-20-29)30-22-21-26-15-11-12-16-27(26)23-30/h2-24,32H,1H3
InChIKeyHHLFHURRTJLZKP-UHFFFAOYSA-N
MW413.56 g/mol
LogP7.48
Rot. Bonds6

About N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine

N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine (PubChem CID 70697311) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine
PubChem CID70697311
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC NameN-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine
SMILESCC(NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C31H27N/c1-24(25-13-5-2-6-14-25)32-31(28-17-7-3-8-18-28,29-19-9-4-10-20-29)30-22-21-26-15-11-12-16-27(26)23-30/h2-24,32H,1H3
InChIKeyHHLFHURRTJLZKP-UHFFFAOYSA-N
XLogP7.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine?
The IUPAC name of N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine (CID 70697311) is N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine is CC(NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine?
The InChIKey is HHLFHURRTJLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N/c1-24(25-13-5-2-6-14-25)32-31(28-17-7-3-8-18-28,29-19-9-4-10-20-29)30-22-21-26-15-11-12-16-27(26)23-30/h2-24,32H,1H3.
What are the key properties of N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine?
N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine has a molecular weight of 413.56 g/mol, XLogP of 7.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 70697311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).