1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine

C22H18BrN — CID 12040745

IUPAC1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine
SMILESCN(C)c1ccc2ccccc2c1-c1c(Br)ccc2ccccc12
InChIInChI=1S/C22H18BrN/c1-24(2)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/h3-14H,1-2H3
InChIKeyVCGWZWXGNAKPMD-UHFFFAOYSA-N
MW376.30 g/mol
LogP6.49
Rot. Bonds2

About 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine

1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine (PubChem CID 12040745) has the molecular formula C22H18BrN and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine
PubChem CID12040745
Molecular FormulaC22H18BrN
Molecular Weight376.30 g/mol
Exact Mass375.06
IUPAC Name1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine
SMILESCN(C)c1ccc2ccccc2c1-c1c(Br)ccc2ccccc12
InChIInChI=1S/C22H18BrN/c1-24(2)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/h3-14H,1-2H3
InChIKeyVCGWZWXGNAKPMD-UHFFFAOYSA-N
XLogP6.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.30
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine?
The IUPAC name of 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine (CID 12040745) is 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine.
What is the SMILES notation for 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine?
The canonical SMILES for 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine is CN(C)c1ccc2ccccc2c1-c1c(Br)ccc2ccccc12.
What is the InChIKey of 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine?
The InChIKey is VCGWZWXGNAKPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN/c1-24(2)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/h3-14H,1-2H3.
What are the key properties of 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine?
1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine has a molecular weight of 376.30 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromonaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine is sourced from PubChem (CID 12040745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).