(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine

C12H9BrClF2NOS — CID 102828102

IUPAC(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)F)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H9BrClF2NOS/c13-8-5-9(19-11(8)14)10(17)6-2-1-3-7(4-6)18-12(15)16/h1-5,10,12H,17H2
InChIKeyAEAUQHYGYMBZSZ-UHFFFAOYSA-N
MW368.63 g/mol
LogP4.81
Rot. Bonds4

About (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine

(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine (PubChem CID 102828102) has the molecular formula C12H9BrClF2NOS and a molecular weight of 368.63 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine
PubChem CID102828102
Molecular FormulaC12H9BrClF2NOS
Molecular Weight368.63 g/mol
Exact Mass366.92
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)F)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H9BrClF2NOS/c13-8-5-9(19-11(8)14)10(17)6-2-1-3-7(4-6)18-12(15)16/h1-5,10,12H,17H2
InChIKeyAEAUQHYGYMBZSZ-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.63
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 102828345
(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 102828054
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854014
(4-bromo-5-chlorothiophen-2-yl)-[4-bromo-3-(trifluoromethyl)phenyl]methanamine
CID 102828030
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
CID 63436738
(4-bromo-5-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102827223
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
(S)-[3-(difluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241669
3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
CID 102836839
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine (CID 102828102) is (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine is NC(c1cccc(OC(F)F)c1)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine?
The InChIKey is AEAUQHYGYMBZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClF2NOS/c13-8-5-9(19-11(8)14)10(17)6-2-1-3-7(4-6)18-12(15)16/h1-5,10,12H,17H2.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine?
(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine has a molecular weight of 368.63 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 102828102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).