6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine

C18H16BrN — CID 81260326

IUPAC6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine
SMILESCc1cccc(CNc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C18H16BrN/c1-13-3-2-4-14(9-13)12-20-18-8-6-15-10-17(19)7-5-16(15)11-18/h2-11,20H,12H2,1H3
InChIKeyJQRVRMPNXULUEX-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.52
Rot. Bonds3

About 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine

6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine (PubChem CID 81260326) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine
PubChem CID81260326
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine
SMILESCc1cccc(CNc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C18H16BrN/c1-13-3-2-4-14(9-13)12-20-18-8-6-15-10-17(19)7-5-16(15)11-18/h2-11,20H,12H2,1H3
InChIKeyJQRVRMPNXULUEX-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine (CID 81260326) is 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine is Cc1cccc(CNc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine?
The InChIKey is JQRVRMPNXULUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-13-3-2-4-14(9-13)12-20-18-8-6-15-10-17(19)7-5-16(15)11-18/h2-11,20H,12H2,1H3.
What are the key properties of 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine?
6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine has a molecular weight of 326.24 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81260326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).