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

C12H15BrFN — CID 103092280

IUPAC(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFN/c1-3-15-9(2)4-5-10-6-7-11(13)8-12(10)14/h4-9,15H,3H2,1-2H3/b5-4+
InChIKeyATSIZEUIIMVFCW-SNAWJCMRSA-N
MW272.16 g/mol
LogP3.60
Rot. Bonds4

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

(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine (PubChem CID 103092280) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is (E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
PubChem CID103092280
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFN/c1-3-15-9(2)4-5-10-6-7-11(13)8-12(10)14/h4-9,15H,3H2,1-2H3/b5-4+
InChIKeyATSIZEUIIMVFCW-SNAWJCMRSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092384
(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093212
(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)methylidene]-3-methylbutan-1-ol
CID 79334653
(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
CID 54775722
(E)-4-(4,5-dibromothiophen-2-yl)-N-ethylbut-3-en-2-amine
CID 103092444
2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
CID 82972669
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390
(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine
CID 103092393
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
CID 79321674

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine (CID 103092280) is (E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine is CCNC(C)/C=C/c1ccc(Br)cc1F.
What is the InChIKey of (E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine?
The InChIKey is ATSIZEUIIMVFCW-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-3-15-9(2)4-5-10-6-7-11(13)8-12(10)14/h4-9,15H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine?
(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine has a molecular weight of 272.16 g/mol, XLogP of 3.60, 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-ethylbut-3-en-2-amine is sourced from PubChem (CID 103092280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).