(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine

C16H26N2O2S — CID 106444388

IUPAC(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCCOc1ccc(C(N)C2CSCCN2C)cc1OCC
InChIInChI=1S/C16H26N2O2S/c1-4-19-14-7-6-12(10-15(14)20-5-2)16(17)13-11-21-9-8-18(13)3/h6-7,10,13,16H,4-5,8-9,11,17H2,1-3H3
InChIKeyACYQFEYHVLOMLE-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.53
Rot. Bonds6

About (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine

(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444388) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444388
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCCOc1ccc(C(N)C2CSCCN2C)cc1OCC
InChIInChI=1S/C16H26N2O2S/c1-4-19-14-7-6-12(10-15(14)20-5-2)16(17)13-11-21-9-8-18(13)3/h6-7,10,13,16H,4-5,8-9,11,17H2,1-3H3
InChIKeyACYQFEYHVLOMLE-UHFFFAOYSA-N
XLogP2.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444597
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
2-(3,4-diethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83973833
(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444518
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106681022
N-[(3,4-diethoxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105143428
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine (CID 106444388) is (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine is CCOc1ccc(C(N)C2CSCCN2C)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is ACYQFEYHVLOMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-19-14-7-6-12(10-15(14)20-5-2)16(17)13-11-21-9-8-18(13)3/h6-7,10,13,16H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 310.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).