1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine

C14H22N2OS — CID 78943185

IUPAC1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILESCSc1ccc(CNCC2CN(C)CCO2)cc1
InChIInChI=1S/C14H22N2OS/c1-16-7-8-17-13(11-16)10-15-9-12-3-5-14(18-2)6-4-12/h3-6,13,15H,7-11H2,1-2H3
InChIKeyVBAICKPFYUMDNT-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine

1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine (PubChem CID 78943185) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
PubChem CID78943185
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILESCSc1ccc(CNCC2CN(C)CCO2)cc1
InChIInChI=1S/C14H22N2OS/c1-16-7-8-17-13(11-16)10-15-9-12-3-5-14(18-2)6-4-12/h3-6,13,15H,7-11H2,1-2H3
InChIKeyVBAICKPFYUMDNT-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline
CID 78942834
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine (CID 78943185) is 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine is CSc1ccc(CNCC2CN(C)CCO2)cc1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The InChIKey is VBAICKPFYUMDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16-7-8-17-13(11-16)10-15-9-12-3-5-14(18-2)6-4-12/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine has a molecular weight of 266.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine is sourced from PubChem (CID 78943185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).