2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline

C14H14Cl2N2S — CID 19814417

IUPAC2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline
SMILESCCNc1cc(Cl)c(SCc2ccccn2)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c1-2-17-13-7-12(16)14(8-11(13)15)19-9-10-5-3-4-6-18-10/h3-8,17H,2,9H2,1H3
InChIKeyBRGKXNOGKZYPDP-UHFFFAOYSA-N
MW313.25 g/mol
LogP5.11
Rot. Bonds5

About 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline

2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline (PubChem CID 19814417) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline
PubChem CID19814417
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline
SMILESCCNc1cc(Cl)c(SCc2ccccn2)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c1-2-17-13-7-12(16)14(8-11(13)15)19-9-10-5-3-4-6-18-10/h3-8,17H,2,9H2,1H3
InChIKeyBRGKXNOGKZYPDP-UHFFFAOYSA-N
XLogP5.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)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

3-chloro-4-(pyridin-2-ylmethylsulfanyl)aniline
CID 19814400
2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
CID 52562461
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416
4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 55076302
2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(pyridin-2-ylmethylsulfanyl)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]sulfanylmethyl]pyridine
CID 102527244
3-chloro-2-(pyridin-2-ylmethylsulfanyl)aniline
CID 43304905
2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
CID 79146225
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline?
The IUPAC name of 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline (CID 19814417) is 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline?
The canonical SMILES for 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline is CCNc1cc(Cl)c(SCc2ccccn2)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline?
The InChIKey is BRGKXNOGKZYPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c1-2-17-13-7-12(16)14(8-11(13)15)19-9-10-5-3-4-6-18-10/h3-8,17H,2,9H2,1H3.
What are the key properties of 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline?
2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline has a molecular weight of 313.25 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-4-(pyridin-2-ylmethylsulfanyl)aniline is sourced from PubChem (CID 19814417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).