N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine

C14H21NOS — CID 79368622

IUPACN-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccc(SC)cc1
InChIInChI=1S/C14H21NOS/c1-3-15-10-12-8-9-16-14(12)11-4-6-13(17-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyLFDBBHJSGWBIIS-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.10
Rot. Bonds5

About N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine

N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 79368622) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine
PubChem CID79368622
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccc(SC)cc1
InChIInChI=1S/C14H21NOS/c1-3-15-10-12-8-9-16-14(12)11-4-6-13(17-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyLFDBBHJSGWBIIS-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368719
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
CID 79368430
N-[[2-[4-(trifluoromethylsulfanyl)phenyl]oxan-3-yl]methyl]ethanamine
CID 79370705
N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 83241190
N-[[2-(3-bromophenyl)oxolan-3-yl]methyl]ethanamine
CID 79368720
N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine
CID 105379792
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79978075
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79367591
N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368429
2-(4-methylsulfanylphenyl)oxan-3-amine
CID 79364958
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79367501
N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 79367958

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine (CID 79368622) is N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine is CCNCC1CCOC1c1ccc(SC)cc1.
What is the InChIKey of N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is LFDBBHJSGWBIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-15-10-12-8-9-16-14(12)11-4-6-13(17-2)7-5-11/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine?
N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 251.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79368622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).