(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine

C14H22N2S — CID 106444378

IUPAC(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCCc1ccc(C(N)C2CSCCN2C)cc1
InChIInChI=1S/C14H22N2S/c1-3-11-4-6-12(7-5-11)14(15)13-10-17-9-8-16(13)2/h4-7,13-14H,3,8-10,15H2,1-2H3
InChIKeyXBKWKGPJFFHZJV-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.30
Rot. Bonds3

About (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine

(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444378) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444378
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCCc1ccc(C(N)C2CSCCN2C)cc1
InChIInChI=1S/C14H22N2S/c1-3-11-4-6-12(7-5-11)14(15)13-10-17-9-8-16(13)2/h4-7,13-14H,3,8-10,15H2,1-2H3
InChIKeyXBKWKGPJFFHZJV-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446480
(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444388
[(4-methylthiomorpholin-3-yl)-(4-propylphenyl)methyl]hydrazine
CID 106446359
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 103595870
[2-(5-ethyl-2-pyridinyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446379
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanamine
CID 107360379
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444601
(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444518
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine (CID 106444378) is (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine is CCc1ccc(C(N)C2CSCCN2C)cc1.
What is the InChIKey of (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is XBKWKGPJFFHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-11-4-6-12(7-5-11)14(15)13-10-17-9-8-16(13)2/h4-7,13-14H,3,8-10,15H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 250.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).