1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine

C17H23NOS — CID 83175059

IUPAC1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1C)Cc1ccco1
InChIInChI=1S/C17H23NOS/c1-3-10-18-15(12-16-8-6-11-19-16)13-20-17-9-5-4-7-14(17)2/h4-9,11,15,18H,3,10,12-13H2,1-2H3
InChIKeyYXURBEVGDULDRU-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.29
Rot. Bonds8

About 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine

1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine (PubChem CID 83175059) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
PubChem CID83175059
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1C)Cc1ccco1
InChIInChI=1S/C17H23NOS/c1-3-10-18-15(12-16-8-6-11-19-16)13-20-17-9-5-4-7-14(17)2/h4-9,11,15,18H,3,10,12-13H2,1-2H3
InChIKeyYXURBEVGDULDRU-UHFFFAOYSA-N
XLogP4.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83175758
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
CID 79185729
1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107049689
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 66096136
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine (CID 83175059) is 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine is CCCNC(CSc1ccccc1C)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine?
The InChIKey is YXURBEVGDULDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-10-18-15(12-16-8-6-11-19-16)13-20-17-9-5-4-7-14(17)2/h4-9,11,15,18H,3,10,12-13H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine?
1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 83175059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).