[2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride

C18H24ClNOS — CID 70624243

IUPAC[2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride
SMILESCCN(CC)Cc1ccccc1Sc1ccccc1CO.Cl
InChIInChI=1S/C18H23NOS.ClH/c1-3-19(4-2)13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)14-20;/h5-12,20H,3-4,13-14H2,1-2H3;1H
InChIKeyQQHVGGYFNGTOHO-UHFFFAOYSA-N
MW337.92 g/mol
LogP4.59
Rot. Bonds7

About [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride

[2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride (PubChem CID 70624243) has the molecular formula C18H24ClNOS and a molecular weight of 337.92 g/mol. Its IUPAC name is [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride
PubChem CID70624243
Molecular FormulaC18H24ClNOS
Molecular Weight337.92 g/mol
Exact Mass337.13
IUPAC Name[2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride
SMILESCCN(CC)Cc1ccccc1Sc1ccccc1CO.Cl
InChIInChI=1S/C18H23NOS.ClH/c1-3-19(4-2)13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)14-20;/h5-12,20H,3-4,13-14H2,1-2H3;1H
InChIKeyQQHVGGYFNGTOHO-UHFFFAOYSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.92
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)
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1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
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CID 172616532
CID 172616532
N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
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2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
2-[2-(diethylaminomethyl)phenyl]ethanethioamide
CID 82135813
[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
CID 64580557
[2-[2-(piperidin-1-ylmethyl)phenyl]sulfanylphenyl]methanol
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2-(diethylaminomethyl)-N-methylaniline
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Frequently Asked Questions

What is the IUPAC name of [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride?
The IUPAC name of [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride (CID 70624243) is [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride.
What is the SMILES notation for [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride?
The canonical SMILES for [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride is CCN(CC)Cc1ccccc1Sc1ccccc1CO.Cl.
What is the InChIKey of [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride?
The InChIKey is QQHVGGYFNGTOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS.ClH/c1-3-19(4-2)13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)14-20;/h5-12,20H,3-4,13-14H2,1-2H3;1H.
What are the key properties of [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride?
[2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride has a molecular weight of 337.92 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride is sourced from PubChem (CID 70624243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).