(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine

C11H8BrCl2NS — CID 80534984

IUPAC(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
SMILESNC(c1sccc1Br)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8BrCl2NS/c12-6-4-5-16-11(6)10(15)9-7(13)2-1-3-8(9)14/h1-5,10H,15H2
InChIKeyNKSIIGGHGRPQBV-UHFFFAOYSA-N
MW337.07 g/mol
LogP4.87
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine

(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine (PubChem CID 80534984) has the molecular formula C11H8BrCl2NS and a molecular weight of 337.07 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
PubChem CID80534984
Molecular FormulaC11H8BrCl2NS
Molecular Weight337.07 g/mol
Exact Mass334.89
IUPAC Name(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
SMILESNC(c1sccc1Br)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8BrCl2NS/c12-6-4-5-16-11(6)10(15)9-7(13)2-1-3-8(9)14/h1-5,10H,15H2
InChIKeyNKSIIGGHGRPQBV-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.07
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine
CID 80530685
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041950
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(3-bromothiophen-2-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105173000
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methanamine
CID 105172942

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine (CID 80534984) is (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine is NC(c1sccc1Br)c1c(Cl)cccc1Cl.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine?
The InChIKey is NKSIIGGHGRPQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NS/c12-6-4-5-16-11(6)10(15)9-7(13)2-1-3-8(9)14/h1-5,10H,15H2.
What are the key properties of (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine?
(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine has a molecular weight of 337.07 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 80534984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).