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

C14H15Cl2NS — CID 43080367

IUPAC1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-9-3-5-12(18-9)8-17-10(2)13-6-4-11(15)7-14(13)16/h3-7,10,17H,8H2,1-2H3
InChIKeyPBVCOHIDWIQCGS-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.21
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43080367) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43080367
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-9-3-5-12(18-9)8-17-10(2)13-6-4-11(15)7-14(13)16/h3-7,10,17H,8H2,1-2H3
InChIKeyPBVCOHIDWIQCGS-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-(2,4-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-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-(3,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43078567
4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 55029885
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60719365
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)ethanamine
CID 54900157
1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43223863
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28992364
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 43080367) is 1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is PBVCOHIDWIQCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-9-3-5-12(18-9)8-17-10(2)13-6-4-11(15)7-14(13)16/h3-7,10,17H,8H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(2,4-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-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43080367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).