N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride

C23H24ClNS — CID 24846983

IUPACN-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride
SMILESCN(CCC1c2ccccc2Sc2ccccc21)Cc1ccccc1.Cl
InChIInChI=1S/C23H23NS.ClH/c1-24(17-18-9-3-2-4-10-18)16-15-19-20-11-5-7-13-22(20)25-23-14-8-6-12-21(19)23;/h2-14,19H,15-17H2,1H3;1H
InChIKeyIITQJXZBNNVHTD-UHFFFAOYSA-N
MW381.97 g/mol
LogP6.23
Rot. Bonds5

About N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride

N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride (PubChem CID 24846983) has the molecular formula C23H24ClNS and a molecular weight of 381.97 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride
PubChem CID24846983
Molecular FormulaC23H24ClNS
Molecular Weight381.97 g/mol
Exact Mass381.13
IUPAC NameN-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride
SMILESCN(CCC1c2ccccc2Sc2ccccc21)Cc1ccccc1.Cl
InChIInChI=1S/C23H23NS.ClH/c1-24(17-18-9-3-2-4-10-18)16-15-19-20-11-5-7-13-22(20)25-23-14-8-6-12-21(19)23;/h2-14,19H,15-17H2,1H3;1H
InChIKeyIITQJXZBNNVHTD-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.97
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
CID 161280376
3-(2-chloro-9H-thioxanthen-9-yl)-N,N-dimethylpropan-1-amine
CID 3047976
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
CID 130453676
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride
CID 87822203
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
1-methyl-4-[3-(9H-thioxanthen-9-yl)propyl]piperazine
CID 3048003
magnesium;N-benzyl-N-methylpropan-1-amine;chloride
CID 88793658
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride?
The IUPAC name of N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride (CID 24846983) is N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride?
The canonical SMILES for N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride is CN(CCC1c2ccccc2Sc2ccccc21)Cc1ccccc1.Cl.
What is the InChIKey of N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride?
The InChIKey is IITQJXZBNNVHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NS.ClH/c1-24(17-18-9-3-2-4-10-18)16-15-19-20-11-5-7-13-22(20)25-23-14-8-6-12-21(19)23;/h2-14,19H,15-17H2,1H3;1H.
What are the key properties of N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride?
N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride is sourced from PubChem (CID 24846983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).