(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine

C12H11BrFNS — CID 105142450

IUPAC(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1csc(Br)c1
InChIInChI=1S/C12H11BrFNS/c1-7-2-3-9(14)5-10(7)12(15)8-4-11(13)16-6-8/h2-6,12H,15H2,1H3
InChIKeyICZHJWFLYDUROB-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.01
Rot. Bonds2

About (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine

(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 105142450) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID105142450
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1csc(Br)c1
InChIInChI=1S/C12H11BrFNS/c1-7-2-3-9(14)5-10(7)12(15)8-4-11(13)16-6-8/h2-6,12H,15H2,1H3
InChIKeyICZHJWFLYDUROB-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(5-fluoro-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 62492228
(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(5-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297192
[1-(5-bromothiophen-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105377982
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine
CID 107960534

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine (CID 105142450) is (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is ICZHJWFLYDUROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c1-7-2-3-9(14)5-10(7)12(15)8-4-11(13)16-6-8/h2-6,12H,15H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine?
(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 300.20 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 105142450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).