N-[2-(2-bromophenyl)propyl]aniline

C15H16BrN — CID 135385172

IUPACN-[2-(2-bromophenyl)propyl]aniline
SMILESCC(CNc1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H16BrN/c1-12(14-9-5-6-10-15(14)16)11-17-13-7-3-2-4-8-13/h2-10,12,17H,11H2,1H3
InChIKeyJNAGSVRXVHEHBU-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.66
Rot. Bonds4

About N-[2-(2-bromophenyl)propyl]aniline

N-[2-(2-bromophenyl)propyl]aniline (PubChem CID 135385172) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)propyl]aniline
PubChem CID135385172
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[2-(2-bromophenyl)propyl]aniline
SMILESCC(CNc1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H16BrN/c1-12(14-9-5-6-10-15(14)16)11-17-13-7-3-2-4-8-13/h2-10,12,17H,11H2,1H3
InChIKeyJNAGSVRXVHEHBU-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)propyl]aniline?
The IUPAC name of N-[2-(2-bromophenyl)propyl]aniline (CID 135385172) is N-[2-(2-bromophenyl)propyl]aniline.
What is the SMILES notation for N-[2-(2-bromophenyl)propyl]aniline?
The canonical SMILES for N-[2-(2-bromophenyl)propyl]aniline is CC(CNc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)propyl]aniline?
The InChIKey is JNAGSVRXVHEHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-12(14-9-5-6-10-15(14)16)11-17-13-7-3-2-4-8-13/h2-10,12,17H,11H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)propyl]aniline?
N-[2-(2-bromophenyl)propyl]aniline has a molecular weight of 290.20 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)propyl]aniline is sourced from PubChem (CID 135385172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).