2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol

C11H16ClNOS — CID 63808921

IUPAC2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
SMILESCCNCc1c(Cl)cccc1SCCO
InChIInChI=1S/C11H16ClNOS/c1-2-13-8-9-10(12)4-3-5-11(9)15-7-6-14/h3-5,13-14H,2,6-8H2,1H3
InChIKeyFPXMMLAPLUCZIM-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.53
Rot. Bonds6

About 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol

2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol (PubChem CID 63808921) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
PubChem CID63808921
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol
SMILESCCNCc1c(Cl)cccc1SCCO
InChIInChI=1S/C11H16ClNOS/c1-2-13-8-9-10(12)4-3-5-11(9)15-7-6-14/h3-5,13-14H,2,6-8H2,1H3
InChIKeyFPXMMLAPLUCZIM-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-benzylsulfanyl-6-chlorophenyl)methyl]ethanamine
CID 55238285
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
methyl 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylacetate
CID 63807317
1-(2-butylsulfanyl-6-chlorophenyl)-N-methylmethanamine
CID 63809779
N-[[2-chloro-6-(3-chlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 63807908
N-[(2-chloro-6-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806578
N-[(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 63813282
N-[[2-chloro-6-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-1-amine
CID 63805872
N-[[2-chloro-6-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
CID 107783297
N-[(2-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63809780
3-[2-chloro-4-(ethylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 81160613
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol?
The IUPAC name of 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol (CID 63808921) is 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol.
What is the SMILES notation for 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol?
The canonical SMILES for 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol is CCNCc1c(Cl)cccc1SCCO.
What is the InChIKey of 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol?
The InChIKey is FPXMMLAPLUCZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-2-13-8-9-10(12)4-3-5-11(9)15-7-6-14/h3-5,13-14H,2,6-8H2,1H3.
What are the key properties of 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol?
2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol has a molecular weight of 245.77 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(ethylaminomethyl)phenyl]sulfanylethanol is sourced from PubChem (CID 63808921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).