2-fluoro-3-methyl-N-propylsulfanylaniline

C10H14FNS — CID 169218340

IUPAC2-fluoro-3-methyl-N-propylsulfanylaniline
SMILESCCCSNc1cccc(C)c1F
InChIInChI=1S/C10H14FNS/c1-3-7-13-12-9-6-4-5-8(2)10(9)11/h4-6,12H,3,7H2,1-2H3
InChIKeyJNIHLEBVECFWTH-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.60
Rot. Bonds4

About 2-fluoro-3-methyl-N-propylsulfanylaniline

2-fluoro-3-methyl-N-propylsulfanylaniline (PubChem CID 169218340) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-propylsulfanylaniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-propylsulfanylaniline
PubChem CID169218340
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name2-fluoro-3-methyl-N-propylsulfanylaniline
SMILESCCCSNc1cccc(C)c1F
InChIInChI=1S/C10H14FNS/c1-3-7-13-12-9-6-4-5-8(2)10(9)11/h4-6,12H,3,7H2,1-2H3
InChIKeyJNIHLEBVECFWTH-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N,3-dimethylaniline
CID 50998713
2,6-difluoro-3-(propylsulfanylamino)benzoyl chloride
CID 153394408
4-methyl-3-N-propylsulfanylbenzene-1,3-diamine
CID 145497779
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
N'-(2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130589219
1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol
CID 130497270
3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluoro-N-propylsulfanylaniline
CID 172569923
2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
CID 130497399
N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
2-fluoro-1-methyl-3-propylbenzene
CID 54557935

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-propylsulfanylaniline?
The IUPAC name of 2-fluoro-3-methyl-N-propylsulfanylaniline (CID 169218340) is 2-fluoro-3-methyl-N-propylsulfanylaniline.
What is the SMILES notation for 2-fluoro-3-methyl-N-propylsulfanylaniline?
The canonical SMILES for 2-fluoro-3-methyl-N-propylsulfanylaniline is CCCSNc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-propylsulfanylaniline?
The InChIKey is JNIHLEBVECFWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-3-7-13-12-9-6-4-5-8(2)10(9)11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-N-propylsulfanylaniline?
2-fluoro-3-methyl-N-propylsulfanylaniline has a molecular weight of 199.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-propylsulfanylaniline is sourced from PubChem (CID 169218340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).