N-(naphthalen-1-ylmethyl)-N-phenylaniline

C23H19N — CID 11088172

IUPACN-(naphthalen-1-ylmethyl)-N-phenylaniline
SMILESc1ccc(N(Cc2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C23H19N/c1-3-13-21(14-4-1)24(22-15-5-2-6-16-22)18-20-12-9-11-19-10-7-8-17-23(19)20/h1-17H,18H2
InChIKeyGQPLZSWTWMIHRQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP6.18
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-N-phenylaniline

N-(naphthalen-1-ylmethyl)-N-phenylaniline (PubChem CID 11088172) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-N-phenylaniline
PubChem CID11088172
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC NameN-(naphthalen-1-ylmethyl)-N-phenylaniline
SMILESc1ccc(N(Cc2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C23H19N/c1-3-13-21(14-4-1)24(22-15-5-2-6-16-22)18-20-12-9-11-19-10-7-8-17-23(19)20/h1-17H,18H2
InChIKeyGQPLZSWTWMIHRQ-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-N-phenylaniline?
The IUPAC name of N-(naphthalen-1-ylmethyl)-N-phenylaniline (CID 11088172) is N-(naphthalen-1-ylmethyl)-N-phenylaniline.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-N-phenylaniline?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-N-phenylaniline is c1ccc(N(Cc2cccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-N-phenylaniline?
The InChIKey is GQPLZSWTWMIHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-3-13-21(14-4-1)24(22-15-5-2-6-16-22)18-20-12-9-11-19-10-7-8-17-23(19)20/h1-17H,18H2.
What are the key properties of N-(naphthalen-1-ylmethyl)-N-phenylaniline?
N-(naphthalen-1-ylmethyl)-N-phenylaniline has a molecular weight of 309.41 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-N-phenylaniline is sourced from PubChem (CID 11088172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).