2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine

C10H14FNS — CID 82505973

IUPAC2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
SMILESCc1cc(F)ccc1SC(C)CN
InChIInChI=1S/C10H14FNS/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8H,6,12H2,1-2H3
InChIKeyHMURCZDJBRLQIU-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.57
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine

2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine (PubChem CID 82505973) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
PubChem CID82505973
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
SMILESCc1cc(F)ccc1SC(C)CN
InChIInChI=1S/C10H14FNS/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8H,6,12H2,1-2H3
InChIKeyHMURCZDJBRLQIU-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-2-methylphenyl)sulfanylbutan-1-amine
CID 117032656
2-(4-fluoro-2-methylphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035470
(4-fluoro-2-methylphenyl)sulfanylmethanamine
CID 117032403
4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601
4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene
CID 175022651
2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
CID 105371930
3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
CID 117036265
(5-fluoro-2-propan-2-ylsulfanylphenyl)methanamine
CID 63673498
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987
2-(4-fluoro-2-methylphenyl)sulfanylacetonitrile
CID 117033959
4-amino-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350390
[5-fluoro-2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
CID 107752002

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine (CID 82505973) is 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine is Cc1cc(F)ccc1SC(C)CN.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine?
The InChIKey is HMURCZDJBRLQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8H,6,12H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine?
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 82505973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).