4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine

C15H18BrNO — CID 113384472

IUPAC4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine
SMILESCCC(COC)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H18BrNO/c1-3-11(10-18-2)17-15-9-8-14(16)12-6-4-5-7-13(12)15/h4-9,11,17H,3,10H2,1-2H3
InChIKeyGGGVHOXSMDUBDW-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.44
Rot. Bonds5

About 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine

4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine (PubChem CID 113384472) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine.

Molecular Properties

Compound Name4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine
PubChem CID113384472
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine
SMILESCCC(COC)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H18BrNO/c1-3-11(10-18-2)17-15-9-8-14(16)12-6-4-5-7-13(12)15/h4-9,11,17H,3,10H2,1-2H3
InChIKeyGGGVHOXSMDUBDW-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine?
The IUPAC name of 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine (CID 113384472) is 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine.
What is the SMILES notation for 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine?
The canonical SMILES for 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine is CCC(COC)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine?
The InChIKey is GGGVHOXSMDUBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-11(10-18-2)17-15-9-8-14(16)12-6-4-5-7-13(12)15/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine?
4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine has a molecular weight of 308.22 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-methoxybutan-2-yl)naphthalen-1-amine is sourced from PubChem (CID 113384472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).