[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine

C12H12ClNOS — CID 114318379

IUPAC[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCc1ccsc1
InChIInChI=1S/C12H12ClNOS/c13-11-2-1-3-12(10(11)6-14)15-7-9-4-5-16-8-9/h1-5,8H,6-7,14H2
InChIKeyDHANAHWXIBGSHG-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.44
Rot. Bonds4

About [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine

[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine (PubChem CID 114318379) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
PubChem CID114318379
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCc1ccsc1
InChIInChI=1S/C12H12ClNOS/c13-11-2-1-3-12(10(11)6-14)15-7-9-4-5-16-8-9/h1-5,8H,6-7,14H2
InChIKeyDHANAHWXIBGSHG-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine 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

3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 114320741
3-[[2-(bromomethyl)-3-chlorophenoxy]methyl]thiophene
CID 114320906
N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
CID 114318984
[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine
CID 114318594
[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
CID 114318396
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride
CID 172650511
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
3-[[2-(aminomethyl)-3-chlorophenoxy]methyl]-5-fluorobenzonitrile
CID 114318352
[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
CID 112607618
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine (CID 114318379) is [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine is NCc1c(Cl)cccc1OCc1ccsc1.
What is the InChIKey of [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine?
The InChIKey is DHANAHWXIBGSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c13-11-2-1-3-12(10(11)6-14)15-7-9-4-5-16-8-9/h1-5,8H,6-7,14H2.
What are the key properties of [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine?
[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine has a molecular weight of 253.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 114318379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).