2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine

C15H25NOS — CID 64614505

IUPAC2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)SCCOC
InChIInChI=1S/C15H25NOS/c1-4-10-16-15(13(2)18-12-11-17-3)14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3
InChIKeyRAMDSRROJYAEOD-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.50
Rot. Bonds9

About 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine

2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine (PubChem CID 64614505) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine
PubChem CID64614505
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)SCCOC
InChIInChI=1S/C15H25NOS/c1-4-10-16-15(13(2)18-12-11-17-3)14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3
InChIKeyRAMDSRROJYAEOD-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.50
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-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486
(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 93043964
2-(2-methoxyethylsulfanyl)-N-methyl-1,2-diphenylethanamine
CID 64613259
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
2-N-(3-methoxypropyl)-2-N-methyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 62985023
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635
1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
CID 64614912
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine (CID 64614505) is 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine is CCCNC(c1ccccc1)C(C)SCCOC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine?
The InChIKey is RAMDSRROJYAEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-10-16-15(13(2)18-12-11-17-3)14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine?
2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 64614505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).