2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine

C11H16FNS — CID 105467034

IUPAC2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine
SMILESCc1ccc(SCC(C)(F)CN)cc1
InChIInChI=1S/C11H16FNS/c1-9-3-5-10(6-4-9)14-8-11(2,12)7-13/h3-6H,7-8,13H2,1-2H3
InChIKeyNUSHYZPGOQQKGF-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.77
Rot. Bonds4

About 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine

2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine (PubChem CID 105467034) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine
PubChem CID105467034
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine
SMILESCc1ccc(SCC(C)(F)CN)cc1
InChIInChI=1S/C11H16FNS/c1-9-3-5-10(6-4-9)14-8-11(2,12)7-13/h3-6H,7-8,13H2,1-2H3
InChIKeyNUSHYZPGOQQKGF-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(4-methylphenyl)disulfanyl]propan-1-amine
CID 174056253
4,4,4-trifluoro-3-(4-methylphenyl)sulfanylbutan-1-amine
CID 43753407
(4-methylphenyl)sulfanylmethyl 2,2,2-trifluoroacetate
CID 13452216
1-amino-3-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol
CID 64814668
2,2-difluoro-3-phenylsulfanylpropan-1-amine
CID 105455412
methyl (2S,3R)-2-amino-4,4-difluoro-3-methyl-3-[(4-methylphenyl)sulfanylmethyl]butanoate
CID 157389994
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
1-methyl-4-[(4-methylphenyl)sulfanylmethylsulfanylmethylsulfanyl]benzene
CID 71336749
3-methoxy-3-methyl-2-methylidene-4-(4-methylphenyl)sulfanylbutanal
CID 14224838
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 43530260
1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine
CID 117035736
2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine (CID 105467034) is 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine is Cc1ccc(SCC(C)(F)CN)cc1.
What is the InChIKey of 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine?
The InChIKey is NUSHYZPGOQQKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-9-3-5-10(6-4-9)14-8-11(2,12)7-13/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine?
2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-(4-methylphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 105467034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).