2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine

C13H14ClNOS — CID 107780038

IUPAC2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1occc1SC(CN)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNOS/c1-9-12(5-6-16-9)17-13(8-15)10-3-2-4-11(14)7-10/h2-7,13H,8,15H2,1H3
InChIKeyPTUCVFRODOEION-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.03
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine

2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine (PubChem CID 107780038) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
PubChem CID107780038
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
SMILESCc1occc1SC(CN)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClNOS/c1-9-12(5-6-16-9)17-13(8-15)10-3-2-4-11(14)7-10/h2-7,13H,8,15H2,1H3
InChIKeyPTUCVFRODOEION-UHFFFAOYSA-N
XLogP4.03
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-chlorophenyl)-1-(2-methylfuran-3-yl)propan-1-ol
CID 65186084
2-(4-bromophenyl)sulfanyl-2-(3-chlorophenyl)ethanamine
CID 55019714
2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine
CID 55020002
3-[2-amino-1-(3-chlorophenyl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898069
2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 62995717
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(3-chlorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 55101462
2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166
4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
CID 107779318
3-(3-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453999
N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107779905
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine (CID 107780038) is 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine is Cc1occc1SC(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
The InChIKey is PTUCVFRODOEION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9-12(5-6-16-9)17-13(8-15)10-3-2-4-11(14)7-10/h2-7,13H,8,15H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine?
2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine has a molecular weight of 267.78 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine is sourced from PubChem (CID 107780038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).