2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline

C14H14FNS — CID 79141636

IUPAC2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline
SMILESCc1ccccc1CSc1ccc(N)c(F)c1
InChIInChI=1S/C14H14FNS/c1-10-4-2-3-5-11(10)9-17-12-6-7-14(16)13(15)8-12/h2-8H,9,16H2,1H3
InChIKeySQWHFGUALDOJGX-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.01
Rot. Bonds3

About 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline

2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline (PubChem CID 79141636) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline
PubChem CID79141636
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline
SMILESCc1ccccc1CSc1ccc(N)c(F)c1
InChIInChI=1S/C14H14FNS/c1-10-4-2-3-5-11(10)9-17-12-6-7-14(16)13(15)8-12/h2-8H,9,16H2,1H3
InChIKeySQWHFGUALDOJGX-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]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

2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 62771925
2-fluoro-4-[(2,4,6-trimethylphenyl)methylsulfanyl]aniline
CID 79140937
2-fluoro-4-[(5-methylfuran-2-yl)methylsulfanyl]aniline
CID 79141898
4-[(2-methylphenyl)methylsulfanyl]phenol
CID 60865685
4-[(3,4-difluorophenyl)methylsulfanyl]-2-fluoroaniline
CID 82918266
2-fluoro-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline
CID 102881469
2-chloro-4-[(4-fluoro-2-methylphenyl)methylsulfanyl]aniline
CID 114346157
2-fluoro-4-(2-methylpropylsulfanyl)aniline
CID 79140638
2-[3,5-difluoro-4-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 63819591
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-2-fluoroaniline
CID 79141031
4-(2-aminopropylsulfanyl)-2-fluoroaniline
CID 102689536
3-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 43303257

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline?
The IUPAC name of 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline (CID 79141636) is 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline.
What is the SMILES notation for 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline?
The canonical SMILES for 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline is Cc1ccccc1CSc1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline?
The InChIKey is SQWHFGUALDOJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-10-4-2-3-5-11(10)9-17-12-6-7-14(16)13(15)8-12/h2-8H,9,16H2,1H3.
What are the key properties of 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline?
2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline has a molecular weight of 247.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline is sourced from PubChem (CID 79141636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).