2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol

C14H23NO2S — CID 64821042

IUPAC2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol
SMILESCCNC(CO)(CSCCOC)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-15-14(11-16,12-18-10-9-17-2)13-7-5-4-6-8-13/h4-8,15-16H,3,9-12H2,1-2H3
InChIKeyBBSFFJZPHULMPU-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.86
Rot. Bonds9

About 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol

2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol (PubChem CID 64821042) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol
PubChem CID64821042
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol
SMILESCCNC(CO)(CSCCOC)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-15-14(11-16,12-18-10-9-17-2)13-7-5-4-6-8-13/h4-8,15-16H,3,9-12H2,1-2H3
InChIKeyBBSFFJZPHULMPU-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
CID 116694993
3-butylsulfanyl-2-(methylamino)-2-phenylpropan-1-ol
CID 64819019
2-amino-4-(2-methoxyethylsulfanyl)-2-phenylbutan-1-ol
CID 116695696
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159
2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 116695604

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol (CID 64821042) is 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol is CCNC(CO)(CSCCOC)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol?
The InChIKey is BBSFFJZPHULMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-15-14(11-16,12-18-10-9-17-2)13-7-5-4-6-8-13/h4-8,15-16H,3,9-12H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol?
2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 64821042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).