3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine

C15H19NOS — CID 175169618

IUPAC3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine
SMILESNCCC(Cc1ccccc1)SCc1ccco1
InChIInChI=1S/C15H19NOS/c16-9-8-15(11-13-5-2-1-3-6-13)18-12-14-7-4-10-17-14/h1-7,10,15H,8-9,11-12,16H2
InChIKeyGUIFFMPJJJOTGX-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.47
Rot. Bonds7

About 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine

3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine (PubChem CID 175169618) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine
PubChem CID175169618
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine
SMILESNCCC(Cc1ccccc1)SCc1ccco1
InChIInChI=1S/C15H19NOS/c16-9-8-15(11-13-5-2-1-3-6-13)18-12-14-7-4-10-17-14/h1-7,10,15H,8-9,11-12,16H2
InChIKeyGUIFFMPJJJOTGX-UHFFFAOYSA-N
XLogP3.47
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-1-(furan-2-ylmethylsulfanyl)-4-phenylbutan-2-one
CID 15287873
2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
CID 75520332
(2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 124618047
2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 55021927
5-(furan-2-yl)-4-phenylpentan-1-amine
CID 140971933
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
4-amino-1-phenylbutane-2-thiol
CID 87625270
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
(3S)-1-(furan-2-yl)-3-(furan-2-ylmethylsulfanyl)-3-(4-hydroxyphenyl)propan-1-one
CID 2354028
(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine
CID 40900150
2-(1-ethoxybutylsulfanylmethyl)furan
CID 141009482

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine?
The IUPAC name of 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine (CID 175169618) is 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine?
The canonical SMILES for 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine is NCCC(Cc1ccccc1)SCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine?
The InChIKey is GUIFFMPJJJOTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c16-9-8-15(11-13-5-2-1-3-6-13)18-12-14-7-4-10-17-14/h1-7,10,15H,8-9,11-12,16H2.
What are the key properties of 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine?
3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 175169618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).