(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine

C14H15Br2NS — CID 102836741

IUPAC(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
SMILESCc1sc(CN[C@@H](C)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C14H15Br2NS/c1-9(11-4-3-5-12(15)6-11)17-8-13-7-14(16)10(2)18-13/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1
InChIKeyHPJLAAPVQDSPER-VIFPVBQESA-N
MW389.16 g/mol
LogP5.43
Rot. Bonds4

About (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine

(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine (PubChem CID 102836741) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
PubChem CID102836741
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
SMILESCc1sc(CN[C@@H](C)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C14H15Br2NS/c1-9(11-4-3-5-12(15)6-11)17-8-13-7-14(16)10(2)18-13/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1
InChIKeyHPJLAAPVQDSPER-VIFPVBQESA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)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

(1R)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 102836873
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102836556
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102834807
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836706
4-[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 102832081
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 102833535
(1R)-1-(3-bromophenyl)-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81382475
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 102833458
1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43426705

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine (CID 102836741) is (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine is Cc1sc(CN[C@@H](C)c2cccc(Br)c2)cc1Br.
What is the InChIKey of (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine?
The InChIKey is HPJLAAPVQDSPER-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-9(11-4-3-5-12(15)6-11)17-8-13-7-14(16)10(2)18-13/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine?
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine is sourced from PubChem (CID 102836741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).