N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine

C14H16ClNOS — CID 107783297

IUPACN-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Sc1ccoc1C
InChIInChI=1S/C14H16ClNOS/c1-3-16-9-11-12(15)5-4-6-14(11)18-13-7-8-17-10(13)2/h4-8,16H,3,9H2,1-2H3
InChIKeyIVTMUQCJHJNAEI-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.50
Rot. Bonds5

About N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine

N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine (PubChem CID 107783297) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
PubChem CID107783297
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Sc1ccoc1C
InChIInChI=1S/C14H16ClNOS/c1-3-16-9-11-12(15)5-4-6-14(11)18-13-7-8-17-10(13)2/h4-8,16H,3,9H2,1-2H3
InChIKeyIVTMUQCJHJNAEI-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 63807908
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
CID 107783272
2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
CID 63808921
N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 107783199
methyl 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylacetate
CID 63807317
N-[(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 63813282
N-[(2-benzylsulfanyl-6-chlorophenyl)methyl]ethanamine
CID 55238285
N-[[2-chloro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63808070
N-[[2-chloro-6-(2,5-dichlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806289
N-[[2-(4-bromophenyl)sulfanyl-6-chlorophenyl]methyl]propan-1-amine
CID 63807977
N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine (CID 107783297) is N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1Sc1ccoc1C.
What is the InChIKey of N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is IVTMUQCJHJNAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-3-16-9-11-12(15)5-4-6-14(11)18-13-7-8-17-10(13)2/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine?
N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 281.81 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 107783297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).