1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine

C21H18N2 — CID 11266515

IUPAC1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
SMILESCc1ccc2ccc(N)c(-c3c(N)ccc4ccccc34)c2c1
InChIInChI=1S/C21H18N2/c1-13-6-7-15-9-11-19(23)21(17(15)12-13)20-16-5-3-2-4-14(16)8-10-18(20)22/h2-12H,22-23H2,1H3
InChIKeyQYYLCKRHPDZSJZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.13
Rot. Bonds1

About 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine

1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine (PubChem CID 11266515) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
PubChem CID11266515
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
SMILESCc1ccc2ccc(N)c(-c3c(N)ccc4ccccc34)c2c1
InChIInChI=1S/C21H18N2/c1-13-6-7-15-9-11-19(23)21(17(15)12-13)20-16-5-3-2-4-14(16)8-10-18(20)22/h2-12H,22-23H2,1H3
InChIKeyQYYLCKRHPDZSJZ-UHFFFAOYSA-N
XLogP5.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
CID 162122233
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine
CID 175331689
1-phosphanylnaphthalen-2-amine
CID 15207058
2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
CID 81432895
2-[(2-aminonaphthalen-1-yl)diazenyl]-5-methylphenol
CID 154145650

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine?
The IUPAC name of 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine (CID 11266515) is 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine.
What is the SMILES notation for 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine?
The canonical SMILES for 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine is Cc1ccc2ccc(N)c(-c3c(N)ccc4ccccc34)c2c1.
What is the InChIKey of 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine?
The InChIKey is QYYLCKRHPDZSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-13-6-7-15-9-11-19(23)21(17(15)12-13)20-16-5-3-2-4-14(16)8-10-18(20)22/h2-12H,22-23H2,1H3.
What are the key properties of 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine?
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine has a molecular weight of 298.39 g/mol, XLogP of 5.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine is sourced from PubChem (CID 11266515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).