1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine

C15H19NOS — CID 107784313

IUPAC1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1ccc(C)c(C(N)CSc2ccoc2C)c1
InChIInChI=1S/C15H19NOS/c1-10-4-5-11(2)13(8-10)14(16)9-18-15-6-7-17-12(15)3/h4-8,14H,9,16H2,1-3H3
InChIKeyIEKXGMKPIIIKNM-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.00
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine

1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine (PubChem CID 107784313) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
PubChem CID107784313
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1ccc(C)c(C(N)CSc2ccoc2C)c1
InChIInChI=1S/C15H19NOS/c1-10-4-5-11(2)13(8-10)14(16)9-18-15-6-7-17-12(15)3/h4-8,14H,9,16H2,1-3H3
InChIKeyIEKXGMKPIIIKNM-UHFFFAOYSA-N
XLogP4.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 64633802
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784165
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethylphenyl)ethanamine
CID 64648005
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784256
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine (CID 107784313) is 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine is Cc1ccc(C)c(C(N)CSc2ccoc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The InChIKey is IEKXGMKPIIIKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-4-5-11(2)13(8-10)14(16)9-18-15-6-7-17-12(15)3/h4-8,14H,9,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine has a molecular weight of 261.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine is sourced from PubChem (CID 107784313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).