N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine

C14H14Br2ClNS — CID 65279726

IUPACN-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1Cl)c1sc(C)cc1Br
InChIInChI=1S/C14H14Br2ClNS/c1-3-18-13(14-11(16)6-8(2)19-14)10-5-4-9(15)7-12(10)17/h4-7,13,18H,3H2,1-2H3
InChIKeyNUBLTABYCZZCPZ-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.93
Rot. Bonds4

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

N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 65279726) has the molecular formula C14H14Br2ClNS and a molecular weight of 423.60 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID65279726
Molecular FormulaC14H14Br2ClNS
Molecular Weight423.60 g/mol
Exact Mass420.89
IUPAC NameN-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1Cl)c1sc(C)cc1Br
InChIInChI=1S/C14H14Br2ClNS/c1-3-18-13(14-11(16)6-8(2)19-14)10-5-4-9(15)7-12(10)17/h4-7,13,18H,3H2,1-2H3
InChIKeyNUBLTABYCZZCPZ-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-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

N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 65279517
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 81158554
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine (CID 65279726) is N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1Cl)c1sc(C)cc1Br.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is NUBLTABYCZZCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2ClNS/c1-3-18-13(14-11(16)6-8(2)19-14)10-5-4-9(15)7-12(10)17/h4-7,13,18H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine?
N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 423.60 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 65279726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).