1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine

C22H20N2 — CID 101486368

IUPAC1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine
SMILESCc1ccc2c(-c3c(N)ccc4cc(C)ccc34)c(N)ccc2c1
InChIInChI=1S/C22H20N2/c1-13-3-7-17-15(11-13)5-9-19(23)21(17)22-18-8-4-14(2)12-16(18)6-10-20(22)24/h3-12H,23-24H2,1-2H3
InChIKeyQDPVHYQQIPERFE-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.44
Rot. Bonds1

About 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine

1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine (PubChem CID 101486368) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine
PubChem CID101486368
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine
SMILESCc1ccc2c(-c3c(N)ccc4cc(C)ccc34)c(N)ccc2c1
InChIInChI=1S/C22H20N2/c1-13-3-7-17-15(11-13)5-9-19(23)21(17)22-18-8-4-14(2)12-16(18)6-10-20(22)24/h3-12H,23-24H2,1-2H3
InChIKeyQDPVHYQQIPERFE-UHFFFAOYSA-N
XLogP5.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine?
The IUPAC name of 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine (CID 101486368) is 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine.
What is the SMILES notation for 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine?
The canonical SMILES for 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine is Cc1ccc2c(-c3c(N)ccc4cc(C)ccc34)c(N)ccc2c1.
What is the InChIKey of 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine?
The InChIKey is QDPVHYQQIPERFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-13-3-7-17-15(11-13)5-9-19(23)21(17)22-18-8-4-14(2)12-16(18)6-10-20(22)24/h3-12H,23-24H2,1-2H3.
What are the key properties of 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine?
1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine has a molecular weight of 312.42 g/mol, XLogP of 5.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-amine is sourced from PubChem (CID 101486368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).