3-(6-methylnaphthalen-2-yl)naphthalen-2-amine

C21H17N — CID 155382510

IUPAC3-(6-methylnaphthalen-2-yl)naphthalen-2-amine
SMILESCc1ccc2cc(-c3cc4ccccc4cc3N)ccc2c1
InChIInChI=1S/C21H17N/c1-14-6-7-18-11-19(9-8-17(18)10-14)20-12-15-4-2-3-5-16(15)13-21(20)22/h2-13H,22H2,1H3
InChIKeyKRYAIXOKZOTOLE-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.55
Rot. Bonds1

About 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine

3-(6-methylnaphthalen-2-yl)naphthalen-2-amine (PubChem CID 155382510) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine.

Molecular Properties

Compound Name3-(6-methylnaphthalen-2-yl)naphthalen-2-amine
PubChem CID155382510
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name3-(6-methylnaphthalen-2-yl)naphthalen-2-amine
SMILESCc1ccc2cc(-c3cc4ccccc4cc3N)ccc2c1
InChIInChI=1S/C21H17N/c1-14-6-7-18-11-19(9-8-17(18)10-14)20-12-15-4-2-3-5-16(15)13-21(20)22/h2-13H,22H2,1H3
InChIKeyKRYAIXOKZOTOLE-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)naphthalene
CID 59648717
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
benzene;2-methylnaphthalene
CID 159438891
methane;2-methyl-6-phenylnaphthalene
CID 144703390
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209
lithium;hydride;2-methylnaphthalene
CID 175090071
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine?
The IUPAC name of 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine (CID 155382510) is 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine.
What is the SMILES notation for 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine?
The canonical SMILES for 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine is Cc1ccc2cc(-c3cc4ccccc4cc3N)ccc2c1.
What is the InChIKey of 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine?
The InChIKey is KRYAIXOKZOTOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-14-6-7-18-11-19(9-8-17(18)10-14)20-12-15-4-2-3-5-16(15)13-21(20)22/h2-13H,22H2,1H3.
What are the key properties of 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine?
3-(6-methylnaphthalen-2-yl)naphthalen-2-amine has a molecular weight of 283.37 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylnaphthalen-2-yl)naphthalen-2-amine is sourced from PubChem (CID 155382510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).