N-(4-bromophenyl)-4-methylnaphthalen-1-amine

C17H14BrN — CID 135041528

IUPACN-(4-bromophenyl)-4-methylnaphthalen-1-amine
SMILESCc1ccc(Nc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C17H14BrN/c1-12-6-11-17(16-5-3-2-4-15(12)16)19-14-9-7-13(18)8-10-14/h2-11,19H,1H3
InChIKeySNQLBEGLVFPQHK-UHFFFAOYSA-N
MW312.21 g/mol
LogP5.65
Rot. Bonds2

About N-(4-bromophenyl)-4-methylnaphthalen-1-amine

N-(4-bromophenyl)-4-methylnaphthalen-1-amine (PubChem CID 135041528) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methylnaphthalen-1-amine
PubChem CID135041528
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC NameN-(4-bromophenyl)-4-methylnaphthalen-1-amine
SMILESCc1ccc(Nc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C17H14BrN/c1-12-6-11-17(16-5-3-2-4-15(12)16)19-14-9-7-13(18)8-10-14/h2-11,19H,1H3
InChIKeySNQLBEGLVFPQHK-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methylnaphthalen-1-amine?
The IUPAC name of N-(4-bromophenyl)-4-methylnaphthalen-1-amine (CID 135041528) is N-(4-bromophenyl)-4-methylnaphthalen-1-amine.
What is the SMILES notation for N-(4-bromophenyl)-4-methylnaphthalen-1-amine?
The canonical SMILES for N-(4-bromophenyl)-4-methylnaphthalen-1-amine is Cc1ccc(Nc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of N-(4-bromophenyl)-4-methylnaphthalen-1-amine?
The InChIKey is SNQLBEGLVFPQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c1-12-6-11-17(16-5-3-2-4-15(12)16)19-14-9-7-13(18)8-10-14/h2-11,19H,1H3.
What are the key properties of N-(4-bromophenyl)-4-methylnaphthalen-1-amine?
N-(4-bromophenyl)-4-methylnaphthalen-1-amine has a molecular weight of 312.21 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-methylnaphthalen-1-amine is sourced from PubChem (CID 135041528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).