1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine

C13H21NS — CID 62691729

IUPAC1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCSCC(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NS/c1-10(2)12-6-4-11(5-7-12)8-13(14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyZWZFBDKJVQAFGT-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.04
Rot. Bonds5

About 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine

1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine (PubChem CID 62691729) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
PubChem CID62691729
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCSCC(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NS/c1-10(2)12-6-4-11(5-7-12)8-13(14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyZWZFBDKJVQAFGT-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-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

1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 66145230
1-(4-propan-2-ylphenyl)pent-4-en-2-amine
CID 116660393
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
CID 115844097
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844363
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991
3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 115844296
2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132105

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine (CID 62691729) is 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine is CSCC(N)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The InChIKey is ZWZFBDKJVQAFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(2)12-6-4-11(5-7-12)8-13(14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3.
What are the key properties of 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine?
1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 62691729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).