(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine

C12H10BrF2NOS — CID 61102058

IUPAC(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(Br)s1)c1ccccc1OC(F)F
InChIInChI=1S/C12H10BrF2NOS/c13-10-6-5-9(18-10)11(16)7-3-1-2-4-8(7)17-12(14)15/h1-6,11-12H,16H2
InChIKeyPDEKFCZOKSUMGN-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.16
Rot. Bonds4

About (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine

(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine (PubChem CID 61102058) has the molecular formula C12H10BrF2NOS and a molecular weight of 334.19 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
PubChem CID61102058
Molecular FormulaC12H10BrF2NOS
Molecular Weight334.19 g/mol
Exact Mass332.96
IUPAC Name(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(Br)s1)c1ccccc1OC(F)F
InChIInChI=1S/C12H10BrF2NOS/c13-10-6-5-9(18-10)11(16)7-3-1-2-4-8(7)17-12(14)15/h1-6,11-12H,16H2
InChIKeyPDEKFCZOKSUMGN-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43140072
(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43345041
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
(3-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 80535218
[2-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanamine
CID 43322455
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
(5-bromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 43464242
2-[bromo-[2-(difluoromethoxy)phenyl]methyl]-5-methylthiophene
CID 63435734
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine
CID 115827479
(1R)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397564

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine (CID 61102058) is (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine is NC(c1ccc(Br)s1)c1ccccc1OC(F)F.
What is the InChIKey of (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The InChIKey is PDEKFCZOKSUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NOS/c13-10-6-5-9(18-10)11(16)7-3-1-2-4-8(7)17-12(14)15/h1-6,11-12H,16H2.
What are the key properties of (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine?
(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine has a molecular weight of 334.19 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 61102058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).