[3-(2-fluoropropylsulfanyl)phenyl]methanamine

C10H14FNS — CID 84669018

IUPAC[3-(2-fluoropropylsulfanyl)phenyl]methanamine
SMILESCC(F)CSc1cccc(CN)c1
InChIInChI=1S/C10H14FNS/c1-8(11)7-13-10-4-2-3-9(5-10)6-12/h2-5,8H,6-7,12H2,1H3
InChIKeyRQDKDKZCTNNIPV-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.60
Rot. Bonds4

About [3-(2-fluoropropylsulfanyl)phenyl]methanamine

[3-(2-fluoropropylsulfanyl)phenyl]methanamine (PubChem CID 84669018) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is [3-(2-fluoropropylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoropropylsulfanyl)phenyl]methanamine
PubChem CID84669018
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name[3-(2-fluoropropylsulfanyl)phenyl]methanamine
SMILESCC(F)CSc1cccc(CN)c1
InChIInChI=1S/C10H14FNS/c1-8(11)7-13-10-4-2-3-9(5-10)6-12/h2-5,8H,6-7,12H2,1H3
InChIKeyRQDKDKZCTNNIPV-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-fluoropropylsulfanyl)phenyl]acetonitrile
CID 84677109
3-[3-(aminomethyl)phenyl]sulfanyl-1,1,1-trifluoropropan-2-ol
CID 66354542
(3-propylsulfanylphenyl)methanamine
CID 66356001
[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
CID 84683032
2-[3-(2,2-difluoroethylsulfanyl)phenyl]ethanamine
CID 84683033
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
[3-(3-fluoro-3-methylbutyl)sulfanylphenyl]methanamine
CID 84691373
[3-(3,3-difluorobutylsulfanyl)phenyl]methanamine
CID 84694932
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoropropylsulfanyl)phenyl]methanamine?
The IUPAC name of [3-(2-fluoropropylsulfanyl)phenyl]methanamine (CID 84669018) is [3-(2-fluoropropylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-fluoropropylsulfanyl)phenyl]methanamine?
The canonical SMILES for [3-(2-fluoropropylsulfanyl)phenyl]methanamine is CC(F)CSc1cccc(CN)c1.
What is the InChIKey of [3-(2-fluoropropylsulfanyl)phenyl]methanamine?
The InChIKey is RQDKDKZCTNNIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-8(11)7-13-10-4-2-3-9(5-10)6-12/h2-5,8H,6-7,12H2,1H3.
What are the key properties of [3-(2-fluoropropylsulfanyl)phenyl]methanamine?
[3-(2-fluoropropylsulfanyl)phenyl]methanamine has a molecular weight of 199.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoropropylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 84669018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).