N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline

C25H23N — CID 146536835

IUPACN-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCCN(c1ccc(-c2ccc3ccccc3c2)cc1)c1cccc(C)c1
InChIInChI=1S/C25H23N/c1-3-26(25-10-6-7-19(2)17-25)24-15-13-21(14-16-24)23-12-11-20-8-4-5-9-22(20)18-23/h4-18H,3H2,1-2H3
InChIKeyNUYITTZBVBFKLP-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.97
Rot. Bonds4

About N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline

N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 146536835) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID146536835
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC NameN-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCCN(c1ccc(-c2ccc3ccccc3c2)cc1)c1cccc(C)c1
InChIInChI=1S/C25H23N/c1-3-26(25-10-6-7-19(2)17-25)24-15-13-21(14-16-24)23-12-11-20-8-4-5-9-22(20)18-23/h4-18H,3H2,1-2H3
InChIKeyNUYITTZBVBFKLP-UHFFFAOYSA-N
XLogP6.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline (CID 146536835) is N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline is CCN(c1ccc(-c2ccc3ccccc3c2)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is NUYITTZBVBFKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-3-26(25-10-6-7-19(2)17-25)24-15-13-21(14-16-24)23-12-11-20-8-4-5-9-22(20)18-23/h4-18H,3H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline?
N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 337.47 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 146536835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).