1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine

C12H18FNS — CID 115706199

IUPAC1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
SMILESCSCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNS/c1-10(14-7-8-15-2)9-11-3-5-12(13)6-4-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyORVHZFLQZXRRRH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine

1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine (PubChem CID 115706199) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
PubChem CID115706199
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC Name1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
SMILESCSCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNS/c1-10(14-7-8-15-2)9-11-3-5-12(13)6-4-11/h3-6,10,14H,7-9H2,1-2H3
InChIKeyORVHZFLQZXRRRH-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
N-[1-(4-bromophenyl)propan-2-yl]-4-methylsulfanylbutan-1-amine
CID 103087520
N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine
CID 103522476
N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine (CID 115706199) is 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine is CSCCNC(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine?
The InChIKey is ORVHZFLQZXRRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNS/c1-10(14-7-8-15-2)9-11-3-5-12(13)6-4-11/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine?
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine has a molecular weight of 227.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 115706199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).