(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine

C12H10Br2ClNS — CID 79992281

IUPAC(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2cc(Br)ccc2Cl)sc1Br
InChIInChI=1S/C12H10Br2ClNS/c1-6-4-10(17-12(6)14)11(16)8-5-7(13)2-3-9(8)15/h2-5,11H,16H2,1H3
InChIKeyMQHLLRYRICTCDA-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.28
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine

(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine (PubChem CID 79992281) has the molecular formula C12H10Br2ClNS and a molecular weight of 395.55 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
PubChem CID79992281
Molecular FormulaC12H10Br2ClNS
Molecular Weight395.55 g/mol
Exact Mass392.86
IUPAC Name(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2cc(Br)ccc2Cl)sc1Br
InChIInChI=1S/C12H10Br2ClNS/c1-6-4-10(17-12(6)14)11(16)8-5-7(13)2-3-9(8)15/h2-5,11H,16H2,1H3
InChIKeyMQHLLRYRICTCDA-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454040
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43378947
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanamine
CID 79991105
2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
CID 79997261
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
2-bromo-5-[(4-bromo-2-methylphenyl)-chloromethyl]-3-methylthiophene
CID 79992124
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine (CID 79992281) is (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine is Cc1cc(C(N)c2cc(Br)ccc2Cl)sc1Br.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The InChIKey is MQHLLRYRICTCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNS/c1-6-4-10(17-12(6)14)11(16)8-5-7(13)2-3-9(8)15/h2-5,11H,16H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine has a molecular weight of 395.55 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 79992281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).