(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine

C11H8BrClFNS — CID 114558836

IUPAC(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(Cl)s1)c1c(F)cccc1Br
InChIInChI=1S/C11H8BrClFNS/c12-6-2-1-3-7(14)10(6)11(15)8-4-5-9(13)16-8/h1-5,11H,15H2
InChIKeyBTQCYYPXUXBKAV-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.35
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine

(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine (PubChem CID 114558836) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
PubChem CID114558836
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(Cl)s1)c1c(F)cccc1Br
InChIInChI=1S/C11H8BrClFNS/c12-6-2-1-3-7(14)10(6)11(15)8-4-5-9(13)16-8/h1-5,11H,15H2
InChIKeyBTQCYYPXUXBKAV-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chlorothiophene
CID 114560642
(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 106944889
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine
CID 114559117
(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65434580
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 79747667
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
1-[(S)-(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175769
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine (CID 114558836) is (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine is NC(c1ccc(Cl)s1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
The InChIKey is BTQCYYPXUXBKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-6-2-1-3-7(14)10(6)11(15)8-4-5-9(13)16-8/h1-5,11H,15H2.
What are the key properties of (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine?
(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine has a molecular weight of 320.61 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 114558836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).