3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline

C14H16ClNS — CID 63418316

IUPAC3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
SMILESCc1cc(CNc2ccc(C)c(Cl)c2)c(C)s1
InChIInChI=1S/C14H16ClNS/c1-9-4-5-13(7-14(9)15)16-8-12-6-10(2)17-11(12)3/h4-7,16H,8H2,1-3H3
InChIKeyKGHSEXAUBIQNSL-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.94
Rot. Bonds3

About 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline

3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline (PubChem CID 63418316) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
PubChem CID63418316
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
SMILESCc1cc(CNc2ccc(C)c(Cl)c2)c(C)s1
InChIInChI=1S/C14H16ClNS/c1-9-4-5-13(7-14(9)15)16-8-12-6-10(2)17-11(12)3/h4-7,16H,8H2,1-3H3
InChIKeyKGHSEXAUBIQNSL-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

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Related Compounds

3,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 63422661
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-fluoroaniline
CID 54977814
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline
CID 54977763
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 55198626
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline
CID 114251709
N-benzyl-3-chloro-4-methylaniline
CID 18778604
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-chloro-4-methylaniline
CID 102830042
N-(1-benzothiophen-3-ylmethyl)-3-chloro-4-methylaniline
CID 63418536
N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine
CID 107587733

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline (CID 63418316) is 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline is Cc1cc(CNc2ccc(C)c(Cl)c2)c(C)s1.
What is the InChIKey of 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline?
The InChIKey is KGHSEXAUBIQNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-4-5-13(7-14(9)15)16-8-12-6-10(2)17-11(12)3/h4-7,16H,8H2,1-3H3.
What are the key properties of 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline?
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-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 3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline is sourced from PubChem (CID 63418316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).