N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

C30H25N — CID 142481987

IUPACN,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESCc1ccccc1N(C)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C30H25N/c1-22-7-3-6-10-30(22)31(2)29-19-17-25(18-20-29)24-11-13-26(14-12-24)28-16-15-23-8-4-5-9-27(23)21-28/h3-21H,1-2H3
InChIKeyASKPFCLXCCOPRS-UHFFFAOYSA-N
MW399.54 g/mol
LogP8.25
Rot. Bonds4

About N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 142481987) has the molecular formula C30H25N and a molecular weight of 399.54 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID142481987
Molecular FormulaC30H25N
Molecular Weight399.54 g/mol
Exact Mass399.20
IUPAC NameN,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESCc1ccccc1N(C)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C30H25N/c1-22-7-3-6-10-30(22)31(2)29-19-17-25(18-20-29)24-11-13-26(14-12-24)28-16-15-23-8-4-5-9-27(23)21-28/h3-21H,1-2H3
InChIKeyASKPFCLXCCOPRS-UHFFFAOYSA-N
XLogP8.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-methyl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 143983755
3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 121322814
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
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CID 135227535
N-methyl-3-naphthalen-2-yl-N-phenylaniline
CID 149001874
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
1-N-methyl-1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431801
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020
N-(4-tert-butylphenyl)-N,2-dimethylaniline
CID 70891346
1-N-methyl-4-N,4-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-naphthalen-1-yl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-1-N-naphthalen-2-yl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 159975441
N-(2-methylphenyl)-N-(2-methyl-4-phenylphenyl)-16-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033530

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (CID 142481987) is N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is Cc1ccccc1N(C)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is ASKPFCLXCCOPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N/c1-22-7-3-6-10-30(22)31(2)29-19-17-25(18-20-29)24-11-13-26(14-12-24)28-16-15-23-8-4-5-9-27(23)21-28/h3-21H,1-2H3.
What are the key properties of N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?
N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 399.54 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 142481987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).