1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

C14H15Cl2NS — CID 81155759

IUPAC1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1sc(C)cc1C
InChIInChI=1S/C14H15Cl2NS/c1-8-6-9(2)18-14(8)13(17-3)10-4-5-11(15)12(16)7-10/h4-7,13,17H,1-3H3
InChIKeyMFZSMQTYUHQNHZ-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.98
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 81155759) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
PubChem CID81155759
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1sc(C)cc1C
InChIInChI=1S/C14H15Cl2NS/c1-8-6-9(2)18-14(8)13(17-3)10-4-5-11(15)12(16)7-10/h4-7,13,17H,1-3H3
InChIKeyMFZSMQTYUHQNHZ-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine 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-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 81163519
N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 82875015
1-(5-bromothiophen-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 105077014
1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537
1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 113396708
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
1-(3,4-dichlorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 81492006
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 81155754
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (CID 81155759) is 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Cl)c1)c1sc(C)cc1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is MFZSMQTYUHQNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-8-6-9(2)18-14(8)13(17-3)10-4-5-11(15)12(16)7-10/h4-7,13,17H,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 300.25 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81155759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).