2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine

C14H23NOS — CID 130536878

IUPAC2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine
SMILESCSC(C)(C)CNCCOCc1ccccc1
InChIInChI=1S/C14H23NOS/c1-14(2,17-3)12-15-9-10-16-11-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3
InChIKeyCEXDRTMHVIILCE-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.93
Rot. Bonds8

About 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine

2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine (PubChem CID 130536878) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine
PubChem CID130536878
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine
SMILESCSC(C)(C)CNCCOCc1ccccc1
InChIInChI=1S/C14H23NOS/c1-14(2,17-3)12-15-9-10-16-11-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3
InChIKeyCEXDRTMHVIILCE-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
CID 130174466
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876
N-(2,2-diphenylethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 107292773
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
CID 161095799
N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 11850166
N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
CID 122240236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine (CID 130536878) is 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine is CSC(C)(C)CNCCOCc1ccccc1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine?
The InChIKey is CEXDRTMHVIILCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-14(2,17-3)12-15-9-10-16-11-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine?
2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine is sourced from PubChem (CID 130536878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).