2-(4-aminophenyl)-3-ethylsulfanylaniline

C14H16N2S — CID 68788773

IUPAC2-(4-aminophenyl)-3-ethylsulfanylaniline
SMILESCCSc1cccc(N)c1-c1ccc(N)cc1
InChIInChI=1S/C14H16N2S/c1-2-17-13-5-3-4-12(16)14(13)10-6-8-11(15)9-7-10/h3-9H,2,15-16H2,1H3
InChIKeyHDZRSEWOBMBDQO-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-aminophenyl)-3-ethylsulfanylaniline

2-(4-aminophenyl)-3-ethylsulfanylaniline (PubChem CID 68788773) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-ethylsulfanylaniline.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-ethylsulfanylaniline
PubChem CID68788773
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-(4-aminophenyl)-3-ethylsulfanylaniline
SMILESCCSc1cccc(N)c1-c1ccc(N)cc1
InChIInChI=1S/C14H16N2S/c1-2-17-13-5-3-4-12(16)14(13)10-6-8-11(15)9-7-10/h3-9H,2,15-16H2,1H3
InChIKeyHDZRSEWOBMBDQO-UHFFFAOYSA-N
XLogP3.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(2-ethylsulfanylphenyl)aniline
CID 142086543
2-ethylsulfanyl-5-phenylaniline
CID 68787727
3-ethylsulfanyl-2-(trifluoromethyl)aniline
CID 91876082
7-ethylsulfanyl-3H-isoindol-1-amine
CID 174365421
2-(4-ethylsulfanylphenyl)aniline
CID 68786818
1-bromo-4-(2-ethylsulfanylphenyl)benzene
CID 67283557
chloro-(2-ethylsulfanylphenyl)methanamine
CID 174741765
2-(4-aminophenyl)-3-methylbenzenethiol
CID 174495276
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
5-chloro-2-ethylsulfanylaniline;hydrochloride
CID 17381710
2-amino-3-ethylsulfanylbenzenesulfonamide
CID 112675163
2-cyclopropyl-6-ethylsulfanylaniline
CID 142320158

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-ethylsulfanylaniline?
The IUPAC name of 2-(4-aminophenyl)-3-ethylsulfanylaniline (CID 68788773) is 2-(4-aminophenyl)-3-ethylsulfanylaniline.
What is the SMILES notation for 2-(4-aminophenyl)-3-ethylsulfanylaniline?
The canonical SMILES for 2-(4-aminophenyl)-3-ethylsulfanylaniline is CCSc1cccc(N)c1-c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-3-ethylsulfanylaniline?
The InChIKey is HDZRSEWOBMBDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-17-13-5-3-4-12(16)14(13)10-6-8-11(15)9-7-10/h3-9H,2,15-16H2,1H3.
What are the key properties of 2-(4-aminophenyl)-3-ethylsulfanylaniline?
2-(4-aminophenyl)-3-ethylsulfanylaniline has a molecular weight of 244.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-ethylsulfanylaniline is sourced from PubChem (CID 68788773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).