2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine

C13H21NS — CID 61385906

IUPAC2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
SMILESCC(C)(C)NCCCSc1ccccc1
InChIInChI=1S/C13H21NS/c1-13(2,3)14-10-7-11-15-12-8-5-4-6-9-12/h4-6,8-9,14H,7,10-11H2,1-3H3
InChIKeyQABQJECDLNQIES-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.56
Rot. Bonds5

About 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine

2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine (PubChem CID 61385906) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
PubChem CID61385906
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
SMILESCC(C)(C)NCCCSc1ccccc1
InChIInChI=1S/C13H21NS/c1-13(2,3)14-10-7-11-15-12-8-5-4-6-9-12/h4-6,8-9,14H,7,10-11H2,1-3H3
InChIKeyQABQJECDLNQIES-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine
CID 61386051
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine
CID 62585200
N-(3-phenylsulfanylpropyl)hydroxylamine
CID 90764549
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111767332
1-tert-butyl-2-methyl-3-(3-phenylsulfanylpropyl)guanidine;hydroiodide
CID 110965595
N-(3-phenylsulfanylpropyl)methanesulfonamide
CID 47108530
N-(2-bromoethyl)-3-phenylsulfanylpropan-1-amine
CID 91622723
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
3-methylsulfanyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60669246
N,2,2-trimethyl-7-phenylsulfanylheptan-3-amine
CID 79223913
N-(3-phenylsulfanylpropoxy)methanamine
CID 143014343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine (CID 61385906) is 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine is CC(C)(C)NCCCSc1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine?
The InChIKey is QABQJECDLNQIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-13(2,3)14-10-7-11-15-12-8-5-4-6-9-12/h4-6,8-9,14H,7,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine?
2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine is sourced from PubChem (CID 61385906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).