3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine

C15H18ClNOS — CID 57281713

IUPAC3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine
SMILESCc1cccc(C(C)(CCN)Sc2ccc(Cl)o2)c1
InChIInChI=1S/C15H18ClNOS/c1-11-4-3-5-12(10-11)15(2,8-9-17)19-14-7-6-13(16)18-14/h3-7,10H,8-9,17H2,1-2H3
InChIKeyBDKMWEZCEAAOLK-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.60
Rot. Bonds5

About 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine

3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine (PubChem CID 57281713) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine
PubChem CID57281713
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine
SMILESCc1cccc(C(C)(CCN)Sc2ccc(Cl)o2)c1
InChIInChI=1S/C15H18ClNOS/c1-11-4-3-5-12(10-11)15(2,8-9-17)19-14-7-6-13(16)18-14/h3-7,10H,8-9,17H2,1-2H3
InChIKeyBDKMWEZCEAAOLK-UHFFFAOYSA-N
XLogP4.60
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
1-(3-methylphenyl)ethane-1,1-diamine
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CID 54933232
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
CID 105449357
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine?
The IUPAC name of 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine (CID 57281713) is 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine is Cc1cccc(C(C)(CCN)Sc2ccc(Cl)o2)c1.
What is the InChIKey of 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine?
The InChIKey is BDKMWEZCEAAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-11-4-3-5-12(10-11)15(2,8-9-17)19-14-7-6-13(16)18-14/h3-7,10H,8-9,17H2,1-2H3.
What are the key properties of 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine?
3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine has a molecular weight of 295.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)sulfanyl-3-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 57281713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).