N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine

C22H20N2 — CID 628556

IUPACN-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESCNc1ccc2ccccc2c1-c1c(NC)ccc2ccccc12
InChIInChI=1S/C22H20N2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14,23-24H,1-2H3
InChIKeyPXDKDUXMEHPNCO-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.74
Rot. Bonds3

About N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine

N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine (PubChem CID 628556) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine
PubChem CID628556
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC NameN-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESCNc1ccc2ccccc2c1-c1c(NC)ccc2ccccc12
InChIInChI=1S/C22H20N2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14,23-24H,1-2H3
InChIKeyPXDKDUXMEHPNCO-UHFFFAOYSA-N
XLogP5.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine (CID 628556) is N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine is CNc1ccc2ccccc2c1-c1c(NC)ccc2ccccc12.
What is the InChIKey of N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine?
The InChIKey is PXDKDUXMEHPNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14,23-24H,1-2H3.
What are the key properties of N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine?
N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine has a molecular weight of 312.42 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 628556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).