N-(2-bromoprop-2-enyl)-4-phenylaniline

C15H14BrN — CID 62253872

IUPACN-(2-bromoprop-2-enyl)-4-phenylaniline
SMILESC=C(Br)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14BrN/c1-12(16)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,17H,1,11H2
InChIKeyNVCMILATOODZOJ-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.67
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-4-phenylaniline

N-(2-bromoprop-2-enyl)-4-phenylaniline (PubChem CID 62253872) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-phenylaniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-phenylaniline
PubChem CID62253872
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC NameN-(2-bromoprop-2-enyl)-4-phenylaniline
SMILESC=C(Br)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14BrN/c1-12(16)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,17H,1,11H2
InChIKeyNVCMILATOODZOJ-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-phenylaniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-phenylaniline (CID 62253872) is N-(2-bromoprop-2-enyl)-4-phenylaniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-phenylaniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-phenylaniline is C=C(Br)CNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-phenylaniline?
The InChIKey is NVCMILATOODZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c1-12(16)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,17H,1,11H2.
What are the key properties of N-(2-bromoprop-2-enyl)-4-phenylaniline?
N-(2-bromoprop-2-enyl)-4-phenylaniline has a molecular weight of 288.19 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-phenylaniline is sourced from PubChem (CID 62253872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).