2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine

C15H19NOS — CID 60664141

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
SMILESCc1ccc(SCCNCc2ccco2)cc1C
InChIInChI=1S/C15H19NOS/c1-12-5-6-15(10-13(12)2)18-9-7-16-11-14-4-3-8-17-14/h3-6,8,10,16H,7,9,11H2,1-2H3
InChIKeyDFUNVWGUUIINQC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.78
Rot. Bonds6

About 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine

2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine (PubChem CID 60664141) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
PubChem CID60664141
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
SMILESCc1ccc(SCCNCc2ccco2)cc1C
InChIInChI=1S/C15H19NOS/c1-12-5-6-15(10-13(12)2)18-9-7-16-11-14-4-3-8-17-14/h3-6,8,10,16H,7,9,11H2,1-2H3
InChIKeyDFUNVWGUUIINQC-UHFFFAOYSA-N
XLogP3.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 62580322
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
CID 55092341
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 60719628
N-(furan-2-ylmethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 113298812
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 60694983
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
CID 2364287
(3R)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968722
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809780
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine (CID 60664141) is 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine is Cc1ccc(SCCNCc2ccco2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is DFUNVWGUUIINQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12-5-6-15(10-13(12)2)18-9-7-16-11-14-4-3-8-17-14/h3-6,8,10,16H,7,9,11H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine?
2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 60664141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).