1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine

C14H22N2OS — CID 79183022

IUPAC1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine
SMILESCC(N)c1ccc(SCC2CN(C)CCO2)cc1
InChIInChI=1S/C14H22N2OS/c1-11(15)12-3-5-14(6-4-12)18-10-13-9-16(2)7-8-17-13/h3-6,11,13H,7-10,15H2,1-2H3
InChIKeyDDANUUBTIGBWFN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.13
Rot. Bonds4

About 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine

1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine (PubChem CID 79183022) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine
PubChem CID79183022
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine
SMILESCC(N)c1ccc(SCC2CN(C)CCO2)cc1
InChIInChI=1S/C14H22N2OS/c1-11(15)12-3-5-14(6-4-12)18-10-13-9-16(2)7-8-17-13/h3-6,11,13H,7-10,15H2,1-2H3
InChIKeyDDANUUBTIGBWFN-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine
CID 113384740
2-fluoro-4-[(4-methylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171948
3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol
CID 104590668
3-fluoro-5-[(4-methylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171556
1-[3-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79166369
4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
CID 54911442
2-[(4-methylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 79165122
4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554802
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047
1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
(2S)-2-amino-3-[(4-methylmorpholin-2-yl)methylsulfanyl]propanoic acid
CID 107773505

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine?
The IUPAC name of 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine (CID 79183022) is 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine is CC(N)c1ccc(SCC2CN(C)CCO2)cc1.
What is the InChIKey of 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine?
The InChIKey is DDANUUBTIGBWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(15)12-3-5-14(6-4-12)18-10-13-9-16(2)7-8-17-13/h3-6,11,13H,7-10,15H2,1-2H3.
What are the key properties of 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine?
1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine has a molecular weight of 266.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine is sourced from PubChem (CID 79183022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).