3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine

C15H24N2OS — CID 54933322

IUPAC3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCOc1ccccc1CC(C)(CN)N1CCSCC1
InChIInChI=1S/C15H24N2OS/c1-15(12-16,17-7-9-19-10-8-17)11-13-5-3-4-6-14(13)18-2/h3-6H,7-12,16H2,1-2H3
InChIKeyIKBSAPBECUMIMR-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.00
Rot. Bonds5

About 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine

3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine (PubChem CID 54933322) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine
PubChem CID54933322
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCOc1ccccc1CC(C)(CN)N1CCSCC1
InChIInChI=1S/C15H24N2OS/c1-15(12-16,17-7-9-19-10-8-17)11-13-5-3-4-6-14(13)18-2/h3-6H,7-12,16H2,1-2H3
InChIKeyIKBSAPBECUMIMR-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
CID 115046789
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
CID 65380128
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
3-(2-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 60996901
3-(2-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65382377
2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 63272832
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
2-N-(2-bromophenyl)-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65383861
2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831591
1-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methoxybenzene
CID 79446963
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
2-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)-2-methylpropanenitrile
CID 61005584

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine (CID 54933322) is 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine is COc1ccccc1CC(C)(CN)N1CCSCC1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is IKBSAPBECUMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(12-16,17-7-9-19-10-8-17)11-13-5-3-4-6-14(13)18-2/h3-6H,7-12,16H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine?
3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methyl-2-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54933322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).