(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine

C11H8Br2ClNS — CID 102828019

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H8Br2ClNS/c12-7-3-1-6(2-4-7)10(15)9-5-8(13)11(14)16-9/h1-5,10H,15H2
InChIKeyFDFJEGZACNADOL-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.97
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine

(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine (PubChem CID 102828019) has the molecular formula C11H8Br2ClNS and a molecular weight of 381.52 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
PubChem CID102828019
Molecular FormulaC11H8Br2ClNS
Molecular Weight381.52 g/mol
Exact Mass378.84
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H8Br2ClNS/c12-7-3-1-6(2-4-7)10(15)9-5-8(13)11(14)16-9/h1-5,10H,15H2
InChIKeyFDFJEGZACNADOL-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-[4-bromo-3-(trifluoromethyl)phenyl]methanamine
CID 102828030
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine
CID 102828102
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836567
(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 102828054
(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 102827978
(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine
CID 102828065

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine (CID 102828019) is (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine is NC(c1ccc(Br)cc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine?
The InChIKey is FDFJEGZACNADOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNS/c12-7-3-1-6(2-4-7)10(15)9-5-8(13)11(14)16-9/h1-5,10H,15H2.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine?
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine has a molecular weight of 381.52 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine is sourced from PubChem (CID 102828019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).