(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine

C10H14FNS — CID 63673498

IUPAC(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine
SMILESCC(C)Sc1ccc(F)cc1CN
InChIInChI=1S/C10H14FNS/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyMKMCDNWSLTZQEU-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.78
Rot. Bonds3

About (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine

(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine (PubChem CID 63673498) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine
PubChem CID63673498
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine
SMILESCC(C)Sc1ccc(F)cc1CN
InChIInChI=1S/C10H14FNS/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyMKMCDNWSLTZQEU-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine?
The IUPAC name of (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine (CID 63673498) is (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine.
What is the SMILES notation for (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine?
The canonical SMILES for (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine is CC(C)Sc1ccc(F)cc1CN.
What is the InChIKey of (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine?
The InChIKey is MKMCDNWSLTZQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine?
(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine has a molecular weight of 199.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 63673498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).