(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine

C14H22N2S — CID 106444597

IUPAC(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCc1ccc(C(N)C2CSCCN2C)c(C)c1
InChIInChI=1S/C14H22N2S/c1-10-4-5-12(11(2)8-10)14(15)13-9-17-7-6-16(13)3/h4-5,8,13-14H,6-7,9,15H2,1-3H3
InChIKeyZSUZIQDTFYGTQQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.35
Rot. Bonds2

About (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine

(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444597) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444597
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCc1ccc(C(N)C2CSCCN2C)c(C)c1
InChIInChI=1S/C14H22N2S/c1-10-4-5-12(11(2)8-10)14(15)13-9-17-7-6-16(13)3/h4-5,8,13-14H,6-7,9,15H2,1-3H3
InChIKeyZSUZIQDTFYGTQQ-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444518
(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106681022
(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 103595870
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106444379
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595654
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378
(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444388
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanamine
CID 107360379
[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106682865
(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595651
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine (CID 106444597) is (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine is Cc1ccc(C(N)C2CSCCN2C)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is ZSUZIQDTFYGTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-4-5-12(11(2)8-10)14(15)13-9-17-7-6-16(13)3/h4-5,8,13-14H,6-7,9,15H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 250.41 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).