(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine

C12H10Br2ClNS — CID 114023515

IUPAC(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
SMILESCc1cc(C(N)c2cc(Br)cc(Br)c2)sc1Cl
InChIInChI=1S/C12H10Br2ClNS/c1-6-2-10(17-12(6)15)11(16)7-3-8(13)5-9(14)4-7/h2-5,11H,16H2,1H3
InChIKeyOKHVCWSSRDLQIF-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.28
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine

(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine (PubChem CID 114023515) has the molecular formula C12H10Br2ClNS and a molecular weight of 395.55 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
PubChem CID114023515
Molecular FormulaC12H10Br2ClNS
Molecular Weight395.55 g/mol
Exact Mass392.86
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
SMILESCc1cc(C(N)c2cc(Br)cc(Br)c2)sc1Cl
InChIInChI=1S/C12H10Br2ClNS/c1-6-2-10(17-12(6)15)11(16)7-3-8(13)5-9(14)4-7/h2-5,11H,16H2,1H3
InChIKeyOKHVCWSSRDLQIF-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

(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 102763420
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
CID 102763514
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
CID 102763371
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
CID 102763560
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 102763507
(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 104851096
(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107950502
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine (CID 114023515) is (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine is Cc1cc(C(N)c2cc(Br)cc(Br)c2)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine?
The InChIKey is OKHVCWSSRDLQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNS/c1-6-2-10(17-12(6)15)11(16)7-3-8(13)5-9(14)4-7/h2-5,11H,16H2,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine?
(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)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-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine is sourced from PubChem (CID 114023515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).