N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine

C11H12BrClFN — CID 115891030

IUPACN-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CNC(C)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrClFN/c1-7(13)6-15-8(2)9-3-4-10(12)11(14)5-9/h3-5,8,15H,1,6H2,2H3
InChIKeyRLKFMYGRVNBJJR-UHFFFAOYSA-N
MW292.58 g/mol
LogP3.99
Rot. Bonds4

About N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine

N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine (PubChem CID 115891030) has the molecular formula C11H12BrClFN and a molecular weight of 292.58 g/mol. Its IUPAC name is N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine
PubChem CID115891030
Molecular FormulaC11H12BrClFN
Molecular Weight292.58 g/mol
Exact Mass290.98
IUPAC NameN-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CNC(C)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrClFN/c1-7(13)6-15-8(2)9-3-4-10(12)11(14)5-9/h3-5,8,15H,1,6H2,2H3
InChIKeyRLKFMYGRVNBJJR-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 115575005
4-[1-(2-chloroprop-2-enylamino)ethyl]-2-fluorobenzonitrile
CID 115914520
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
2-[1-(4-bromo-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 115733479
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 81382108
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81372498
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
CID 115574935
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
2-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 81373833
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891113

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine?
The IUPAC name of N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine (CID 115891030) is N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine.
What is the SMILES notation for N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine?
The canonical SMILES for N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine is C=C(Cl)CNC(C)c1ccc(Br)c(F)c1.
What is the InChIKey of N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine?
The InChIKey is RLKFMYGRVNBJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFN/c1-7(13)6-15-8(2)9-3-4-10(12)11(14)5-9/h3-5,8,15H,1,6H2,2H3.
What are the key properties of N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine?
N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine has a molecular weight of 292.58 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 N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine is sourced from PubChem (CID 115891030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).