N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline

C15H14BrN — CID 132574218

IUPACN-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
SMILESCN(/C(Br)=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14BrN/c1-17(14-10-6-3-7-11-14)15(16)12-13-8-4-2-5-9-13/h2-12H,1H3/b15-12-
InChIKeyLDMZTQIZCLRRLK-QINSGFPZSA-N
MW288.19 g/mol
LogP4.52
Rot. Bonds3

About N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline

N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline (PubChem CID 132574218) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
PubChem CID132574218
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC NameN-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
SMILESCN(/C(Br)=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14BrN/c1-17(14-10-6-3-7-11-14)15(16)12-13-8-4-2-5-9-13/h2-12H,1H3/b15-12-
InChIKeyLDMZTQIZCLRRLK-QINSGFPZSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-diphenylethenyl)-N-methylaniline
CID 76766210
N-[(E)-1-chloro-2-phenylethenyl]-N-methylaniline
CID 132574216
(E)-2-(N-methylanilino)-3-phenylprop-2-enenitrile
CID 13147143
2,2-dibromo(113C)ethenylbenzene
CID 131856077
N-[(E)-2,3-diphenylprop-2-enyl]-N-methylformamide
CID 101473048
(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine
CID 100948034
N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine
CID 92842583
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
(3S)-3-(dimethylamino)-1-phenylbut-1-en-2-ol
CID 155453900
N-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline?
The IUPAC name of N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline (CID 132574218) is N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline.
What is the SMILES notation for N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline?
The canonical SMILES for N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline is CN(/C(Br)=C\c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline?
The InChIKey is LDMZTQIZCLRRLK-QINSGFPZSA-N. The full InChI is InChI=1S/C15H14BrN/c1-17(14-10-6-3-7-11-14)15(16)12-13-8-4-2-5-9-13/h2-12H,1H3/b15-12-.
What are the key properties of N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline?
N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline has a molecular weight of 288.19 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline is sourced from PubChem (CID 132574218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).