1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine

C14H23NO2S — CID 64646620

IUPAC1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
SMILESCc1ccc(C)c(C(N)CS(=O)(=O)CC(C)C)c1
InChIInChI=1S/C14H23NO2S/c1-10(2)8-18(16,17)9-14(15)13-7-11(3)5-6-12(13)4/h5-7,10,14H,8-9,15H2,1-4H3
InChIKeyNGZXDCRMZJAJPD-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.37
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine

1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine (PubChem CID 64646620) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
PubChem CID64646620
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
SMILESCc1ccc(C)c(C(N)CS(=O)(=O)CC(C)C)c1
InChIInChI=1S/C14H23NO2S/c1-10(2)8-18(16,17)9-14(15)13-7-11(3)5-6-12(13)4/h5-7,10,14H,8-9,15H2,1-4H3
InChIKeyNGZXDCRMZJAJPD-UHFFFAOYSA-N
XLogP2.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine 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

1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759819
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 64674060
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82360034
1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646609
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
4-amino-4-(2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938367
1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
CID 107758585

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine (CID 64646620) is 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine is Cc1ccc(C)c(C(N)CS(=O)(=O)CC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine?
The InChIKey is NGZXDCRMZJAJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(2)8-18(16,17)9-14(15)13-7-11(3)5-6-12(13)4/h5-7,10,14H,8-9,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine?
1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine is sourced from PubChem (CID 64646620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).