2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine

C13H12BrCl2NS — CID 82780180

IUPAC2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)s1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H12BrCl2NS/c1-13(17,7-9-3-5-12(16)18-9)10-4-2-8(14)6-11(10)15/h2-6H,7,17H2,1H3
InChIKeyGHTBYVLOUYRHIU-UHFFFAOYSA-N
MW365.12 g/mol
LogP5.23
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine

2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine (PubChem CID 82780180) has the molecular formula C13H12BrCl2NS and a molecular weight of 365.12 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
PubChem CID82780180
Molecular FormulaC13H12BrCl2NS
Molecular Weight365.12 g/mol
Exact Mass362.93
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
SMILESCC(N)(Cc1ccc(Cl)s1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H12BrCl2NS/c1-13(17,7-9-3-5-12(16)18-9)10-4-2-8(14)6-11(10)15/h2-6H,7,17H2,1H3
InChIKeyGHTBYVLOUYRHIU-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.12
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 55096110
2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
2-(4-bromo-2-chlorophenyl)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 82779632
1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841576
2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 82777110
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
1-(5-chlorothiophen-2-yl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146324
2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 82779747
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841430
N-[[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63485288

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine (CID 82780180) is 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine is CC(N)(Cc1ccc(Cl)s1)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The InChIKey is GHTBYVLOUYRHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2NS/c1-13(17,7-9-3-5-12(16)18-9)10-4-2-8(14)6-11(10)15/h2-6H,7,17H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine has a molecular weight of 365.12 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(5-chlorothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 82780180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).