5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine

C13H20FNS — CID 65256079

IUPAC5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCSc1ccc(F)cc1
InChIInChI=1S/C13H20FNS/c1-13(2,10-15)8-3-9-16-12-6-4-11(14)5-7-12/h4-7H,3,8-10,15H2,1-2H3
InChIKeyFFFLHHPROAWBTA-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.68
Rot. Bonds6

About 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine

5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine (PubChem CID 65256079) has the molecular formula C13H20FNS and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine
PubChem CID65256079
Molecular FormulaC13H20FNS
Molecular Weight241.38 g/mol
Exact Mass241.13
IUPAC Name5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCSc1ccc(F)cc1
InChIInChI=1S/C13H20FNS/c1-13(2,10-15)8-3-9-16-12-6-4-11(14)5-7-12/h4-7H,3,8-10,15H2,1-2H3
InChIKeyFFFLHHPROAWBTA-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-5-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64814874
2,2-dimethyl-6-(4-propan-2-ylphenyl)sulfanylhexan-1-amine
CID 106713289
2,2-dimethyl-6-naphthalen-2-ylsulfanylhexan-1-amine
CID 106713307
5-(2,5-dimethylphenyl)sulfanyl-2,2-dimethylpentan-1-amine
CID 65255604
O-[3-(4-fluorophenyl)sulfanylpropyl]hydroxylamine
CID 11830470
1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64813219
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-dimethylhexan-1-amine
CID 106713347
4-(4-tert-butylphenyl)sulfanyl-1-(4-fluorophenyl)butan-1-amine;hydrochloride
CID 19996188
3-(aminomethyl)-6-(4-tert-butylphenyl)sulfanylhexan-3-ol
CID 106811630
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
5-(4-bromophenyl)sulfanyl-2-methylpentan-2-amine
CID 3026385
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine (CID 65256079) is 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCSc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine?
The InChIKey is FFFLHHPROAWBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-13(2,10-15)8-3-9-16-12-6-4-11(14)5-7-12/h4-7H,3,8-10,15H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine?
5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65256079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).