3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline

C14H16ClNS — CID 43104270

IUPAC3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cccc(Cl)c1C)c1cccs1
InChIInChI=1S/C14H16ClNS/c1-3-12(14-8-5-9-17-14)16-13-7-4-6-11(15)10(13)2/h4-9,12,16H,3H2,1-2H3
InChIKeyZXNXFFYRYAXLRE-UHFFFAOYSA-N
MW265.81 g/mol
LogP5.27
Rot. Bonds4

About 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline

3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 43104270) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID43104270
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cccc(Cl)c1C)c1cccs1
InChIInChI=1S/C14H16ClNS/c1-3-12(14-8-5-9-17-14)16-13-7-4-6-11(15)10(13)2/h4-9,12,16H,3H2,1-2H3
InChIKeyZXNXFFYRYAXLRE-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.81
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline 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

N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
2-[1-(3-chloro-2-methylanilino)propyl]phenol
CID 43101368
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 43745768
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
CID 63540112
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline (CID 43104270) is 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1cccc(Cl)c1C)c1cccs1.
What is the InChIKey of 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is ZXNXFFYRYAXLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-3-12(14-8-5-9-17-14)16-13-7-4-6-11(15)10(13)2/h4-9,12,16H,3H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline?
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 265.81 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43104270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).