1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine

C14H20FNS — CID 103901403

IUPAC1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCNC(C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNS/c1-3-8-17-9-7-16-12(2)10-13-5-4-6-14(15)11-13/h3-6,11-12,16H,1,7-10H2,2H3
InChIKeyJJPDMKZFVOMLFY-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.27
Rot. Bonds8

About 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine

1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine (PubChem CID 103901403) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
PubChem CID103901403
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCNC(C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FNS/c1-3-8-17-9-7-16-12(2)10-13-5-4-6-14(15)11-13/h3-6,11-12,16H,1,7-10H2,2H3
InChIKeyJJPDMKZFVOMLFY-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
CID 113261405
4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine
CID 113262395
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719668
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 113349094
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine (CID 103901403) is 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine is C=CCSCCNC(C)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The InChIKey is JJPDMKZFVOMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-3-8-17-9-7-16-12(2)10-13-5-4-6-14(15)11-13/h3-6,11-12,16H,1,7-10H2,2H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 103901403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).