N-butyl-N-phenylaniline;hydrobromide

C16H20BrN — CID 70419495

IUPACN-butyl-N-phenylaniline;hydrobromide
SMILESBr.CCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N.BrH/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13H,2-3,14H2,1H3;1H
InChIKeyDLMLGOZKKVGTEP-UHFFFAOYSA-N
MW306.25 g/mol
LogP5.20
Rot. Bonds5

About N-butyl-N-phenylaniline;hydrobromide

N-butyl-N-phenylaniline;hydrobromide (PubChem CID 70419495) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is N-butyl-N-phenylaniline;hydrobromide.

Molecular Properties

Compound NameN-butyl-N-phenylaniline;hydrobromide
PubChem CID70419495
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC NameN-butyl-N-phenylaniline;hydrobromide
SMILESBr.CCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N.BrH/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13H,2-3,14H2,1H3;1H
InChIKeyDLMLGOZKKVGTEP-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylaniline;hydrobromide?
The IUPAC name of N-butyl-N-phenylaniline;hydrobromide (CID 70419495) is N-butyl-N-phenylaniline;hydrobromide.
What is the SMILES notation for N-butyl-N-phenylaniline;hydrobromide?
The canonical SMILES for N-butyl-N-phenylaniline;hydrobromide is Br.CCCCN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-N-phenylaniline;hydrobromide?
The InChIKey is DLMLGOZKKVGTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.BrH/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13H,2-3,14H2,1H3;1H.
What are the key properties of N-butyl-N-phenylaniline;hydrobromide?
N-butyl-N-phenylaniline;hydrobromide has a molecular weight of 306.25 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylaniline;hydrobromide is sourced from PubChem (CID 70419495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).