1-(4-fluorophenyl)-2-propylsulfanylethanamine

C11H16FNS — CID 65128851

IUPAC1-(4-fluorophenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(N)c1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-2-7-14-8-11(13)9-3-5-10(12)6-4-9/h3-6,11H,2,7-8,13H2,1H3
InChIKeyICYBAXQLPVXXKG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-fluorophenyl)-2-propylsulfanylethanamine

1-(4-fluorophenyl)-2-propylsulfanylethanamine (PubChem CID 65128851) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-propylsulfanylethanamine
PubChem CID65128851
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name1-(4-fluorophenyl)-2-propylsulfanylethanamine
SMILESCCCSCC(N)c1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-2-7-14-8-11(13)9-3-5-10(12)6-4-9/h3-6,11H,2,7-8,13H2,1H3
InChIKeyICYBAXQLPVXXKG-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-2-propylsulfanylethanamine 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

N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64611096
2-butylsulfanyl-1-phenylethanamine
CID 63771735
4-decylsulfanyl-1-(4-fluorophenyl)butan-1-amine;hydrochloride
CID 19996202
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
2-butylsulfanyl-1-(4-phenylphenyl)ethanamine
CID 64611302
1-(2-methylquinolin-6-yl)-2-propylsulfanylethanamine
CID 81231833
1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524245
2-(3-methylbutylsulfanyl)-1-phenylethanamine
CID 107754777
2-propylsulfanyl-1-quinolin-6-ylethanamine
CID 81231903
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
1-(2,5-difluorophenyl)-2-pentylsulfanylethanamine
CID 107763082

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-propylsulfanylethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-propylsulfanylethanamine (CID 65128851) is 1-(4-fluorophenyl)-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-propylsulfanylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-propylsulfanylethanamine is CCCSCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-propylsulfanylethanamine?
The InChIKey is ICYBAXQLPVXXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-2-7-14-8-11(13)9-3-5-10(12)6-4-9/h3-6,11H,2,7-8,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-propylsulfanylethanamine?
1-(4-fluorophenyl)-2-propylsulfanylethanamine has a molecular weight of 213.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-propylsulfanylethanamine is sourced from PubChem (CID 65128851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).