N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline

C34H28N2O — CID 20555514

IUPACN-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline
SMILESc1ccc(Oc2ccc(NCc3ccc4ccccc4c3)cc2)c(NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C34H28N2O/c1-3-9-29-21-25(13-15-27(29)7-1)23-35-31-17-19-32(20-18-31)37-34-12-6-5-11-33(34)36-24-26-14-16-28-8-2-4-10-30(28)22-26/h1-22,35-36H,23-24H2
InChIKeyFRFYILUXXSUWSI-UHFFFAOYSA-N
MW480.61 g/mol
LogP9.01
Rot. Bonds8

About N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline

N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline (PubChem CID 20555514) has the molecular formula C34H28N2O and a molecular weight of 480.61 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline
PubChem CID20555514
Molecular FormulaC34H28N2O
Molecular Weight480.61 g/mol
Exact Mass480.22
IUPAC NameN-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline
SMILESc1ccc(Oc2ccc(NCc3ccc4ccccc4c3)cc2)c(NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C34H28N2O/c1-3-9-29-21-25(13-15-27(29)7-1)23-35-31-17-19-32(20-18-31)37-34-12-6-5-11-33(34)36-24-26-14-16-28-8-2-4-10-30(28)22-26/h1-22,35-36H,23-24H2
InChIKeyFRFYILUXXSUWSI-UHFFFAOYSA-N
XLogP9.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 59.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
CID 20555519
2-[4-(naphthalen-2-ylmethylamino)phenyl]acetamide
CID 174611975
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
3-bromo-N-(naphthalen-2-ylmethyl)aniline
CID 28555096
N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine
CID 141147777
2-methyl-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 79042132
3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline
CID 144588782
3-bromo-4-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 104775821
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline?
The IUPAC name of N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline (CID 20555514) is N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline is c1ccc(Oc2ccc(NCc3ccc4ccccc4c3)cc2)c(NCc2ccc3ccccc3c2)c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline?
The InChIKey is FRFYILUXXSUWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O/c1-3-9-29-21-25(13-15-27(29)7-1)23-35-31-17-19-32(20-18-31)37-34-12-6-5-11-33(34)36-24-26-14-16-28-8-2-4-10-30(28)22-26/h1-22,35-36H,23-24H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline?
N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline has a molecular weight of 480.61 g/mol, XLogP of 9.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-2-[4-(naphthalen-2-ylmethylamino)phenoxy]aniline is sourced from PubChem (CID 20555514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).