1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine

C14H17NOS — CID 107783655

IUPAC1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine
SMILESCc1occc1Sc1ccccc1CC(C)N
InChIInChI=1S/C14H17NOS/c1-10(15)9-12-5-3-4-6-14(12)17-13-7-8-16-11(13)2/h3-8,10H,9,15H2,1-2H3
InChIKeyMJYWMFATFUQFAO-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine

1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine (PubChem CID 107783655) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine
PubChem CID107783655
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine
SMILESCc1occc1Sc1ccccc1CC(C)N
InChIInChI=1S/C14H17NOS/c1-10(15)9-12-5-3-4-6-14(12)17-13-7-8-16-11(13)2/h3-8,10H,9,15H2,1-2H3
InChIKeyMJYWMFATFUQFAO-UHFFFAOYSA-N
XLogP3.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780656
1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]propan-2-amine
CID 107783659
1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 55238730
1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 114000808
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
CID 63818458
(1S)-1-[4-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780668
1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
CID 63818813
methyl 2-amino-3-(2-methylfuran-3-yl)sulfanylbenzoate
CID 107781312
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
CID 526624
[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine
CID 107783293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine (CID 107783655) is 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine is Cc1occc1Sc1ccccc1CC(C)N.
What is the InChIKey of 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine?
The InChIKey is MJYWMFATFUQFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(15)9-12-5-3-4-6-14(12)17-13-7-8-16-11(13)2/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine?
1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine has a molecular weight of 247.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 107783655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).