(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine

C12H10BrF2NOS — CID 80534844

IUPAC(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1sccc1Br
InChIInChI=1S/C12H10BrF2NOS/c13-9-5-6-18-11(9)10(16)7-1-3-8(4-2-7)17-12(14)15/h1-6,10,12H,16H2
InChIKeyNUOCOYMSDOKRGD-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.16
Rot. Bonds4

About (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine

(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine (PubChem CID 80534844) has the molecular formula C12H10BrF2NOS and a molecular weight of 334.19 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
PubChem CID80534844
Molecular FormulaC12H10BrF2NOS
Molecular Weight334.19 g/mol
Exact Mass332.96
IUPAC Name(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)F)cc1)c1sccc1Br
InChIInChI=1S/C12H10BrF2NOS/c13-9-5-6-18-11(9)10(16)7-1-3-8(4-2-7)17-12(14)15/h1-6,10,12H,16H2
InChIKeyNUOCOYMSDOKRGD-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

Analyze (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 63797040
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(3-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 80535218
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
(4-bromo-5-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102827223
[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine
CID 81157249
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine (CID 80534844) is (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine is NC(c1ccc(OC(F)F)cc1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine?
The InChIKey is NUOCOYMSDOKRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NOS/c13-9-5-6-18-11(9)10(16)7-1-3-8(4-2-7)17-12(14)15/h1-6,10,12H,16H2.
What are the key properties of (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine?
(3-bromothiophen-2-yl)-[4-(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 (3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 80534844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).