1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine

C14H15Cl2NS — CID 62604150

IUPAC1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-17-11(7-10-5-6-18-9-10)8-12-13(15)3-2-4-14(12)16/h2-6,9,11,17H,7-8H2,1H3
InChIKeyWNQYAAQZVMQXRU-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.43
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine

1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 62604150) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
PubChem CID62604150
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-17-11(7-10-5-6-18-9-10)8-12-13(15)3-2-4-14(12)16/h2-6,9,11,17H,7-8H2,1H3
InChIKeyWNQYAAQZVMQXRU-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
N-methyl-1-pyridin-2-yl-3-thiophen-3-ylpropan-2-amine
CID 62601722
1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692778
N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65132227
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
1-(2-fluoro-3-methoxyphenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105180556
2-(methylamino)-3-thiophen-3-ylpropane-1-sulfonic acid
CID 87095543

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine (CID 62604150) is 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine is CNC(Cc1ccsc1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is WNQYAAQZVMQXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-17-11(7-10-5-6-18-9-10)8-12-13(15)3-2-4-14(12)16/h2-6,9,11,17H,7-8H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine?
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 300.25 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 62604150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).