1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C14H15Cl2NS — CID 43078567

IUPAC1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H15Cl2NS/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h3-7,10,17H,8H2,1-2H3
InChIKeyQIHOGDZMCJDTJV-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.21
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43078567) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43078567
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H15Cl2NS/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h3-7,10,17H,8H2,1-2H3
InChIKeyQIHOGDZMCJDTJV-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.25
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine 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-(3,4-dichlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65246502
1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43223863
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 79419866
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43080367
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
1-(3,4-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 113350417
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 43078567) is 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is QIHOGDZMCJDTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-9-3-5-12(18-9)8-17-10(2)11-4-6-13(15)14(16)7-11/h3-7,10,17H,8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 300.25 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43078567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).