(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine

C13H17BrFN — CID 103093212

IUPAC(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFN/c1-4-16-10(3)9(2)7-11-5-6-12(14)8-13(11)15/h5-8,10,16H,4H2,1-3H3/b9-7+
InChIKeySXGIVDUWYLRAPM-VQHVLOKHSA-N
MW286.19 g/mol
LogP3.99
Rot. Bonds4

About (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine

(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine (PubChem CID 103093212) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
PubChem CID103093212
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFN/c1-4-16-10(3)9(2)7-11-5-6-12(14)8-13(11)15/h5-8,10,16H,4H2,1-3H3/b9-7+
InChIKeySXGIVDUWYLRAPM-VQHVLOKHSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280
(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093379
2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334653
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
CID 79321674
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
(E)-4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092384
5-[(E)-3-(ethylamino)-2-methylbut-1-enyl]-2-fluorobenzonitrile
CID 114018091
4-bromo-2-fluoro-1-(2-nitrobut-1-enyl)benzene
CID 76912988
(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
CID 103971130
3-(4-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347354
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
CID 58961640
2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
CID 82972669

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine (CID 103093212) is (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine is CCNC(C)/C(C)=C/c1ccc(Br)cc1F.
What is the InChIKey of (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The InChIKey is SXGIVDUWYLRAPM-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-4-16-10(3)9(2)7-11-5-6-12(14)8-13(11)15/h5-8,10,16H,4H2,1-3H3/b9-7+.
What are the key properties of (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine?
(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine has a molecular weight of 286.19 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103093212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).