1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine

C14H21ClN2S — CID 82917199

IUPAC1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CC1CSCCN1
InChIInChI=1S/C14H21ClN2S/c1-11(12-3-5-13(15)6-4-12)17(2)9-14-10-18-8-7-16-14/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyBWGLLKBCSHXTDM-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.04
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine

1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine (PubChem CID 82917199) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
PubChem CID82917199
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CC1CSCCN1
InChIInChI=1S/C14H21ClN2S/c1-11(12-3-5-13(15)6-4-12)17(2)9-14-10-18-8-7-16-14/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyBWGLLKBCSHXTDM-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
1-cyclopropyl-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916645
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 66421232
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368
N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82916858
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[1-(4-chlorophenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605425
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916479
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]thiomorpholine
CID 82916644

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine (CID 82917199) is 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine is CC(c1ccc(Cl)cc1)N(C)CC1CSCCN1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine?
The InChIKey is BWGLLKBCSHXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-11(12-3-5-13(15)6-4-12)17(2)9-14-10-18-8-7-16-14/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine?
1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine has a molecular weight of 284.86 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine is sourced from PubChem (CID 82917199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).