3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine

C12H15BrFN — CID 79341621

IUPAC3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFN/c1-3-15-8-9(2)6-10-7-11(13)4-5-12(10)14/h4-7,15H,3,8H2,1-2H3
InChIKeySMEKFWKVAMOYHQ-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.60
Rot. Bonds4

About 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine

3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 79341621) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID79341621
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFN/c1-3-15-8-9(2)6-10-7-11(13)4-5-12(10)14/h4-7,15H,3,8H2,1-2H3
InChIKeySMEKFWKVAMOYHQ-UHFFFAOYSA-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

3-(2,4-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79340897
4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 79739424
(E)-4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092384
3-(5-bromo-2-fluorophenyl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170815395
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
CID 79321674
(E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105411808
N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
CID 115157831
5-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79599622
2-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-1-fluorobenzene
CID 114867402
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340667
3-(5-bromo-2-fluorophenyl)-2-fluoroprop-2-enoic acid
CID 79727035

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine (CID 79341621) is 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine is CCNCC(C)=Cc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is SMEKFWKVAMOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-3-15-8-9(2)6-10-7-11(13)4-5-12(10)14/h4-7,15H,3,8H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-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 3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79341621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).