(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine

C11H8Br2FNS — CID 61104169

IUPAC(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)c1cc(Br)ccc1F
InChIInChI=1S/C11H8Br2FNS/c12-6-1-2-8(14)7(5-6)11(15)9-3-4-10(13)16-9/h1-5,11H,15H2
InChIKeyPCVQFJWRHPMAGM-UHFFFAOYSA-N
MW365.07 g/mol
LogP4.46
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine

(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine (PubChem CID 61104169) has the molecular formula C11H8Br2FNS and a molecular weight of 365.07 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
PubChem CID61104169
Molecular FormulaC11H8Br2FNS
Molecular Weight365.07 g/mol
Exact Mass362.87
IUPAC Name(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)c1cc(Br)ccc1F
InChIInChI=1S/C11H8Br2FNS/c12-6-1-2-8(14)7(5-6)11(15)9-3-4-10(13)16-9/h1-5,11H,15H2
InChIKeyPCVQFJWRHPMAGM-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 43464242
(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105011918
(2-bromo-4-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107987471
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503607
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 63435413
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559026

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine (CID 61104169) is (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine is NC(c1ccc(Br)s1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine?
The InChIKey is PCVQFJWRHPMAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FNS/c12-6-1-2-8(14)7(5-6)11(15)9-3-4-10(13)16-9/h1-5,11H,15H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine?
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine has a molecular weight of 365.07 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 61104169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).