1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine

C7H16FNS — CID 166663019

IUPAC1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine
SMILESCSCCNC(C)(C)CF
InChIInChI=1S/C7H16FNS/c1-7(2,6-8)9-4-5-10-3/h9H,4-6H2,1-3H3
InChIKeyZOPUKPZSGNXZMH-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.69
Rot. Bonds5

About 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine

1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine (PubChem CID 166663019) has the molecular formula C7H16FNS and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine
PubChem CID166663019
Molecular FormulaC7H16FNS
Molecular Weight165.28 g/mol
Exact Mass165.10
IUPAC Name1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine
SMILESCSCCNC(C)(C)CF
InChIInChI=1S/C7H16FNS/c1-7(2,6-8)9-4-5-10-3/h9H,4-6H2,1-3H3
InChIKeyZOPUKPZSGNXZMH-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine (CID 166663019) is 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine is CSCCNC(C)(C)CF.
What is the InChIKey of 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine?
The InChIKey is ZOPUKPZSGNXZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNS/c1-7(2,6-8)9-4-5-10-3/h9H,4-6H2,1-3H3.
What are the key properties of 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine?
1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-N-(2-methylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 166663019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).