1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine

C22H20N2 — CID 12061686

IUPAC1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESCCNc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C22H20N2/c1-2-24-20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h3-14,24H,2,23H2,1H3
InChIKeyYKJKKSFYMOARMD-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.67
Rot. Bonds3

About 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine

1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine (PubChem CID 12061686) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound Name1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
PubChem CID12061686
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESCCNc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C22H20N2/c1-2-24-20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h3-14,24H,2,23H2,1H3
InChIKeyYKJKKSFYMOARMD-UHFFFAOYSA-N
XLogP5.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.67
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-(ethylamino)naphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine (CID 12061686) is 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine is CCNc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.
What is the InChIKey of 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine?
The InChIKey is YKJKKSFYMOARMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-2-24-20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h3-14,24H,2,23H2,1H3.
What are the key properties of 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine?
1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine has a molecular weight of 312.42 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 12061686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).