N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine

C15H23BrN2S — CID 63058751

IUPACN-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Br)cc1N1CCSCC1
InChIInChI=1S/C15H23BrN2S/c1-12(2)10-17-11-13-3-4-14(16)9-15(13)18-5-7-19-8-6-18/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeyYHZMACCIRIRNKQ-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.75
Rot. Bonds5

About N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine

N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63058751) has the molecular formula C15H23BrN2S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID63058751
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC NameN-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Br)cc1N1CCSCC1
InChIInChI=1S/C15H23BrN2S/c1-12(2)10-17-11-13-3-4-14(16)9-15(13)18-5-7-19-8-6-18/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeyYHZMACCIRIRNKQ-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63072054
N-[[4-bromo-2-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059908
N-[[4-bromo-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63070733
N-[[4-bromo-2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060934
N-[[5-bromo-2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288380
1-(4-bromo-2-thiomorpholin-4-ylphenyl)-N-methylethanamine
CID 82972103
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280393
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 43280395
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124
1-[4-bromo-2-(1,4-thiazepan-4-yl)phenyl]-N-ethylethanamine
CID 82971896
N-[[4-chloro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114847720

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine (CID 63058751) is N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Br)cc1N1CCSCC1.
What is the InChIKey of N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is YHZMACCIRIRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c1-12(2)10-17-11-13-3-4-14(16)9-15(13)18-5-7-19-8-6-18/h3-4,9,12,17H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine?
N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 343.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-thiomorpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63058751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).