N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline

C24H22N2 — CID 23656600

IUPACN-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline
SMILESc1ccc(NCc2ccc(CNc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2/c1-3-9-21(10-4-1)25-17-19-15-16-20(24-14-8-7-13-23(19)24)18-26-22-11-5-2-6-12-22/h1-16,25-26H,17-18H2
InChIKeyBOYIDLLYXRSLBV-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.06
Rot. Bonds6

About N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline

N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline (PubChem CID 23656600) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline
PubChem CID23656600
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC NameN-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline
SMILESc1ccc(NCc2ccc(CNc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2/c1-3-9-21(10-4-1)25-17-19-15-16-20(24-14-8-7-13-23(19)24)18-26-22-11-5-2-6-12-22/h1-16,25-26H,17-18H2
InChIKeyBOYIDLLYXRSLBV-UHFFFAOYSA-N
XLogP6.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline?
The IUPAC name of N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline (CID 23656600) is N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline.
What is the SMILES notation for N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline?
The canonical SMILES for N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline is c1ccc(NCc2ccc(CNc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline?
The InChIKey is BOYIDLLYXRSLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-3-9-21(10-4-1)25-17-19-15-16-20(24-14-8-7-13-23(19)24)18-26-22-11-5-2-6-12-22/h1-16,25-26H,17-18H2.
What are the key properties of N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline?
N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline has a molecular weight of 338.45 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(anilinomethyl)naphthalen-1-yl]methyl]aniline is sourced from PubChem (CID 23656600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).