N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine

C18H23NOS — CID 63647905

IUPACN-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(Oc1ccccc1SC)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-3-13-19-14-17(15-9-5-4-6-10-15)20-16-11-7-8-12-18(16)21-2/h4-12,17,19H,3,13-14H2,1-2H3
InChIKeyNNEIANIDYJTPIV-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.53
Rot. Bonds8

About N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine

N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine (PubChem CID 63647905) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine
PubChem CID63647905
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine
SMILESCCCNCC(Oc1ccccc1SC)c1ccccc1
InChIInChI=1S/C18H23NOS/c1-3-13-19-14-17(15-9-5-4-6-10-15)20-16-11-7-8-12-18(16)21-2/h4-12,17,19H,3,13-14H2,1-2H3
InChIKeyNNEIANIDYJTPIV-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.53
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

N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 107661150
N-(2-phenoxy-2-phenylethyl)propan-1-amine
CID 62452576
1-(2-methylsulfanylphenoxy)-3-(propylamino)propan-2-ol
CID 63647463
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262
N-(2-methylsulfanylphenoxy)propan-1-amine
CID 19102994
N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine
CID 81341788
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63647284

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine (CID 63647905) is N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine is CCCNCC(Oc1ccccc1SC)c1ccccc1.
What is the InChIKey of N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine?
The InChIKey is NNEIANIDYJTPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-13-19-14-17(15-9-5-4-6-10-15)20-16-11-7-8-12-18(16)21-2/h4-12,17,19H,3,13-14H2,1-2H3.
What are the key properties of N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine?
N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 63647905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).