1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine

C15H22FNS — CID 79179710

IUPAC1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CSc1ccc(F)cc1
InChIInChI=1S/C15H22FNS/c1-4-9-17-14(10-12(2)3)11-18-15-7-5-13(16)6-8-15/h5-8,10,14,17H,4,9,11H2,1-3H3
InChIKeyPZIRBALLUUCMKM-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.25
Rot. Bonds7

About 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine

1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine (PubChem CID 79179710) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine
PubChem CID79179710
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CSc1ccc(F)cc1
InChIInChI=1S/C15H22FNS/c1-4-9-17-14(10-12(2)3)11-18-15-7-5-13(16)6-8-15/h5-8,10,14,17H,4,9,11H2,1-3H3
InChIKeyPZIRBALLUUCMKM-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
N-[1-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66065121
1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035770
5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 106462568
4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine
CID 79191073
4-(4-fluorophenyl)sulfanyl-2-(propylamino)butanenitrile
CID 63055475
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 66065316

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine (CID 79179710) is 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine?
The InChIKey is PZIRBALLUUCMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-4-9-17-14(10-12(2)3)11-18-15-7-5-13(16)6-8-15/h5-8,10,14,17H,4,9,11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine?
1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine has a molecular weight of 267.41 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 79179710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).