1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine

C15H22BrClN2S — CID 82779873

IUPAC1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCNC(CCN1CCSCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H22BrClN2S/c1-2-18-15(5-6-19-7-9-20-10-8-19)13-4-3-12(16)11-14(13)17/h3-4,11,15,18H,2,5-10H2,1H3
InChIKeyLFSKPOSFYQEKFH-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.19
Rot. Bonds6

About 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine

1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 82779873) has the molecular formula C15H22BrClN2S and a molecular weight of 377.78 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID82779873
Molecular FormulaC15H22BrClN2S
Molecular Weight377.78 g/mol
Exact Mass376.04
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCNC(CCN1CCSCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H22BrClN2S/c1-2-18-15(5-6-19-7-9-20-10-8-19)13-4-3-12(16)11-14(13)17/h3-4,11,15,18H,2,5-10H2,1H3
InChIKeyLFSKPOSFYQEKFH-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82779326
1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 82781081
1-(2-chlorophenyl)-N-ethyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62643356
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(4-bromo-2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 82776914
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105003781
N-ethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62612136
1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 82775892

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine (CID 82779873) is 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine is CCNC(CCN1CCSCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is LFSKPOSFYQEKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2S/c1-2-18-15(5-6-19-7-9-20-10-8-19)13-4-3-12(16)11-14(13)17/h3-4,11,15,18H,2,5-10H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine?
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 377.78 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 82779873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).