2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine

C18H25NOS — CID 107784222

IUPAC2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(CC)Sc1ccoc1C
InChIInChI=1S/C18H25NOS/c1-4-12-19-18(15-9-7-6-8-10-15)16(5-2)21-17-11-13-20-14(17)3/h6-11,13,16,18-19H,4-5,12H2,1-3H3
InChIKeyQDUOWDQFBXBSGL-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.20
Rot. Bonds8

About 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine

2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine (PubChem CID 107784222) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
PubChem CID107784222
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(CC)Sc1ccoc1C
InChIInChI=1S/C18H25NOS/c1-4-12-19-18(15-9-7-6-8-10-15)16(5-2)21-17-11-13-20-14(17)3/h6-11,13,16,18-19H,4-5,12H2,1-3H3
InChIKeyQDUOWDQFBXBSGL-UHFFFAOYSA-N
XLogP5.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine
CID 64649430
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271
2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64626985
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
ethyl 2-[1-phenyl-1-(propylamino)butan-2-yl]sulfanylacetate
CID 64615868
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
CID 107782619
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine (CID 107784222) is 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine is CCCNC(c1ccccc1)C(CC)Sc1ccoc1C.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine?
The InChIKey is QDUOWDQFBXBSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-4-12-19-18(15-9-7-6-8-10-15)16(5-2)21-17-11-13-20-14(17)3/h6-11,13,16,18-19H,4-5,12H2,1-3H3.
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine?
2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 107784222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).