3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine

C13H21NS — CID 83935932

IUPAC3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine
SMILESCSc1ccc(C(C)C(C)CCN)cc1
InChIInChI=1S/C13H21NS/c1-10(8-9-14)11(2)12-4-6-13(15-3)7-5-12/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyAAXGFHQVLXGQOW-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.50
Rot. Bonds5

About 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine

3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine (PubChem CID 83935932) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine
PubChem CID83935932
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine
SMILESCSc1ccc(C(C)C(C)CCN)cc1
InChIInChI=1S/C13H21NS/c1-10(8-9-14)11(2)12-4-6-13(15-3)7-5-12/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyAAXGFHQVLXGQOW-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine 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-(4-ethylphenyl)-3-methylpentan-1-amine
CID 83922583
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621
[4-methyl-1-(4-methylsulfanylphenyl)pentyl]hydrazine
CID 105294254
N'-benzyl-N'-[1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 106511300
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
(1R)-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171212727
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980
3-(4-methylsulfanylphenyl)butane-1-thiol
CID 83935928
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
4-(3-bromo-4-ethylphenyl)-3-methylpentan-1-amine
CID 83921617

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine?
The IUPAC name of 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine (CID 83935932) is 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine.
What is the SMILES notation for 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine?
The canonical SMILES for 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine is CSc1ccc(C(C)C(C)CCN)cc1.
What is the InChIKey of 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine?
The InChIKey is AAXGFHQVLXGQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(8-9-14)11(2)12-4-6-13(15-3)7-5-12/h4-7,10-11H,8-9,14H2,1-3H3.
What are the key properties of 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine?
3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylsulfanylphenyl)pentan-1-amine is sourced from PubChem (CID 83935932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).