(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium

C12H13ClNS+ — CID 8622999

IUPAC(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium
SMILESClc1ccccc1C[NH2+]Cc1ccsc1
InChIInChI=1S/C12H12ClNS/c13-12-4-2-1-3-11(12)8-14-7-10-5-6-15-9-10/h1-6,9,14H,7-8H2/p+1
InChIKeyJAPVDERWSLZYHK-UHFFFAOYSA-O
MW238.76 g/mol
LogP2.67
Rot. Bonds4

About (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium

(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium (PubChem CID 8622999) has the molecular formula C12H13ClNS+ and a molecular weight of 238.76 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium
PubChem CID8622999
Molecular FormulaC12H13ClNS+
Molecular Weight238.76 g/mol
Exact Mass238.05
IUPAC Name(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium
SMILESClc1ccccc1C[NH2+]Cc1ccsc1
InChIInChI=1S/C12H12ClNS/c13-12-4-2-1-3-11(12)8-14-7-10-5-6-15-9-10/h1-6,9,14H,7-8H2/p+1
InChIKeyJAPVDERWSLZYHK-UHFFFAOYSA-O
XLogP2.67
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium 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-(2-chlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62621400
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
CID 7018888
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742
[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623092
[(2R)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623097
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
CID 112607618
2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 79454130
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978
(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
CID 7018885
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium?
The IUPAC name of (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium (CID 8622999) is (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium?
The canonical SMILES for (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium is Clc1ccccc1C[NH2+]Cc1ccsc1.
What is the InChIKey of (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium?
The InChIKey is JAPVDERWSLZYHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H12ClNS/c13-12-4-2-1-3-11(12)8-14-7-10-5-6-15-9-10/h1-6,9,14H,7-8H2/p+1.
What are the key properties of (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium?
(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium has a molecular weight of 238.76 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium is sourced from PubChem (CID 8622999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).