[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine

C11H16FNS — CID 43530076

IUPAC[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine
SMILESCCCSCc1cc(CN)ccc1F
InChIInChI=1S/C11H16FNS/c1-2-5-14-8-10-6-9(7-13)3-4-11(10)12/h3-4,6H,2,5,7-8,13H2,1H3
InChIKeyIBBISADXRFHKGU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.93
Rot. Bonds5

About [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine

[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine (PubChem CID 43530076) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine
PubChem CID43530076
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine
SMILESCCCSCc1cc(CN)ccc1F
InChIInChI=1S/C11H16FNS/c1-2-5-14-8-10-6-9(7-13)3-4-11(10)12/h3-4,6H,2,5,7-8,13H2,1H3
InChIKeyIBBISADXRFHKGU-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine 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-(butan-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 43530003
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530073
[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine
CID 43530140
[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 62304801
[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 61242880
[3-fluoro-4-(2-methylsulfonylethylsulfanylmethyl)phenyl]methanamine
CID 63659581
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092
3-[(5-chloro-2-fluorophenyl)methylsulfanyl]propan-1-amine
CID 103046809
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112657803
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112657864
4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene
CID 126990340

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine (CID 43530076) is [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine is CCCSCc1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine?
The InChIKey is IBBISADXRFHKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-2-5-14-8-10-6-9(7-13)3-4-11(10)12/h3-4,6H,2,5,7-8,13H2,1H3.
What are the key properties of [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine?
[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine has a molecular weight of 213.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 43530076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).