1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine

C13H14ClNS — CID 61078376

IUPAC1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNS/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-7,9,13,15H,8H2,1H3
InChIKeyBYVZYTFCUVDMEG-UHFFFAOYSA-N
MW251.78 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine

1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 61078376) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID61078376
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNS/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-7,9,13,15H,8H2,1H3
InChIKeyBYVZYTFCUVDMEG-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 79454130
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61078910
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine (CID 61078376) is 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is BYVZYTFCUVDMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-15-13(8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine?
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 251.78 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61078376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).