N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine

C15H11BrClNS — CID 102830047

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine
SMILESClc1sc(CNc2cccc3ccccc23)cc1Br
InChIInChI=1S/C15H11BrClNS/c16-13-8-11(19-15(13)17)9-18-14-7-3-5-10-4-1-2-6-12(10)14/h1-8,18H,9H2
InChIKeyHTJGIAIUVJDLPU-UHFFFAOYSA-N
MW352.68 g/mol
LogP5.93
Rot. Bonds3

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine (PubChem CID 102830047) has the molecular formula C15H11BrClNS and a molecular weight of 352.68 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine
PubChem CID102830047
Molecular FormulaC15H11BrClNS
Molecular Weight352.68 g/mol
Exact Mass350.95
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine
SMILESClc1sc(CNc2cccc3ccccc23)cc1Br
InChIInChI=1S/C15H11BrClNS/c16-13-8-11(19-15(13)17)9-18-14-7-3-5-10-4-1-2-6-12(10)14/h1-8,18H,9H2
InChIKeyHTJGIAIUVJDLPU-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine 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-5-chlorothiophen-2-yl)methyl]aniline
CID 102829948
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline
CID 102832325
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-nitroaniline
CID 102832918
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 102832685
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-phenylaniline
CID 102832866
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-chloro-2-methylaniline
CID 102830756
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 102833523
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-fluoro-2-iodoaniline
CID 102836448
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 102836382
6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
CID 102836645
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]benzamide
CID 102830891

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine (CID 102830047) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine is Clc1sc(CNc2cccc3ccccc23)cc1Br.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine?
The InChIKey is HTJGIAIUVJDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNS/c16-13-8-11(19-15(13)17)9-18-14-7-3-5-10-4-1-2-6-12(10)14/h1-8,18H,9H2.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine has a molecular weight of 352.68 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine is sourced from PubChem (CID 102830047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).