(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine

C13H13Br2NS — CID 78921804

IUPAC(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C13H13Br2NS/c1-9(10-2-4-11(14)5-3-10)16-8-12-6-7-13(15)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyQSIVHSROJPNFAM-SECBINFHSA-N
MW375.13 g/mol
LogP5.12
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 78921804) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
PubChem CID78921804
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C13H13Br2NS/c1-9(10-2-4-11(14)5-3-10)16-8-12-6-7-13(15)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyQSIVHSROJPNFAM-SECBINFHSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.13
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
N-[(5-bromothiophen-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 60761159
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 103245719
1-(1,3-benzodioxol-5-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 43434017
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 61012571
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649363
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine (CID 78921804) is (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine is C[C@@H](NCc1ccc(Br)s1)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is QSIVHSROJPNFAM-SECBINFHSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-9(10-2-4-11(14)5-3-10)16-8-12-6-7-13(15)17-12/h2-7,9,16H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 375.13 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 78921804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).