N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine

C29H28N2 — CID 145088499

IUPACN-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine
SMILESCNc1ccc2ccccc2c1.Cc1ccc(Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C18H17N.C11H11N/c1-13-7-9-17(11-14(13)2)19-18-10-8-15-5-3-4-6-16(15)12-18;1-12-11-7-6-9-4-2-3-5-10(9)8-11/h3-12,19H,1-2H3;2-8,12H,1H3
InChIKeyZLYFXDNUPAUAHU-UHFFFAOYSA-N
MW404.56 g/mol
LogP8.08
Rot. Bonds3

About N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine

N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine (PubChem CID 145088499) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine
PubChem CID145088499
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC NameN-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine
SMILESCNc1ccc2ccccc2c1.Cc1ccc(Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C18H17N.C11H11N/c1-13-7-9-17(11-14(13)2)19-18-10-8-15-5-3-4-6-16(15)12-18;1-12-11-7-6-9-4-2-3-5-10(9)8-11/h3-12,19H,1-2H3;2-8,12H,1H3
InChIKeyZLYFXDNUPAUAHU-UHFFFAOYSA-N
XLogP8.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-1-naphthylamine
CID 7013
N-phenyl-2-naphthylamine
CID 8679
N,N'-Di(2-naphthyl)-p-phenylenediamine
CID 7142
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
Sudan Red 7B
CID 61396
1-(Naphthalen-2-yl)piperazine
CID 2760172
N-Methyl-1-naphthylamine
CID 16667
N-Ethyl-1-naphthalenamine
CID 67043
N,N'-Diphenylbenzidine
CID 68280
(2,4,4-Trimethylpentyl)-N-phenyl-1-naphthylamine
CID 121494093
(Phenanthren-9-yl)-phenyl-amine
CID 9943327
4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-dimethylaniline
CID 256660

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine (CID 145088499) is N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine is CNc1ccc2ccccc2c1.Cc1ccc(Nc2ccc3ccccc3c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine?
The InChIKey is ZLYFXDNUPAUAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N.C11H11N/c1-13-7-9-17(11-14(13)2)19-18-10-8-15-5-3-4-6-16(15)12-18;1-12-11-7-6-9-4-2-3-5-10(9)8-11/h3-12,19H,1-2H3;2-8,12H,1H3.
What are the key properties of N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine?
N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine has a molecular weight of 404.56 g/mol, XLogP of 8.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine is sourced from PubChem (CID 145088499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).