2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline

C14H16ClNS — CID 114251709

IUPAC2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline
SMILESCc1cc(CNc2cccc(C)c2Cl)c(C)s1
InChIInChI=1S/C14H16ClNS/c1-9-5-4-6-13(14(9)15)16-8-12-7-10(2)17-11(12)3/h4-7,16H,8H2,1-3H3
InChIKeyYZAIVNYOHFJODH-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.94
Rot. Bonds3

About 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline

2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline (PubChem CID 114251709) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline
PubChem CID114251709
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline
SMILESCc1cc(CNc2cccc(C)c2Cl)c(C)s1
InChIInChI=1S/C14H16ClNS/c1-9-5-4-6-13(14(9)15)16-8-12-7-10(2)17-11(12)3/h4-7,16H,8H2,1-3H3
InChIKeyYZAIVNYOHFJODH-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline 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

3-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methylaniline
CID 107629769
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 55198626
N-[(2-bromo-4-fluorophenyl)methyl]-2-chloro-3-methylaniline
CID 114251751
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418316
2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114075281
3,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 63422661
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418333
2-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-5-methylaniline
CID 82761487
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
ethyl 2-[(2,5-dimethylthiophen-3-yl)methylamino]benzoate
CID 63423353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline?
The IUPAC name of 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline (CID 114251709) is 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline.
What is the SMILES notation for 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline?
The canonical SMILES for 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline is Cc1cc(CNc2cccc(C)c2Cl)c(C)s1.
What is the InChIKey of 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline?
The InChIKey is YZAIVNYOHFJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-5-4-6-13(14(9)15)16-8-12-7-10(2)17-11(12)3/h4-7,16H,8H2,1-3H3.
What are the key properties of 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline?
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline has a molecular weight of 265.81 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline is sourced from PubChem (CID 114251709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).