2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine

C13H21NS — CID 60697107

IUPAC2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
SMILESCSCCNC(c1ccccc1)C(C)C
InChIInChI=1S/C13H21NS/c1-11(2)13(14-9-10-15-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
InChIKeySOVYOSYFYTXACD-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.34
Rot. Bonds6

About 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine

2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine (PubChem CID 60697107) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
PubChem CID60697107
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
SMILESCSCCNC(c1ccccc1)C(C)C
InChIInChI=1S/C13H21NS/c1-11(2)13(14-9-10-15-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
InChIKeySOVYOSYFYTXACD-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.34
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-(2-methylsulfanylethylamino)-1,2-diphenylethanol
CID 19806393
N-(2-methylsulfanylethyl)-3-phenylbutan-2-amine
CID 115706156
3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526
(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 93043964
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
N'-methyl-N-(2-methyl-1-phenylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 62636093
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
N'-ethyl-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62636240
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine (CID 60697107) is 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine is CSCCNC(c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine?
The InChIKey is SOVYOSYFYTXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-11(2)13(14-9-10-15-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine?
2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 60697107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).