2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol

C15H25NOS — CID 113374028

IUPAC2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
SMILESCCNC(c1ccccc1)C(CC)SC(C)CO
InChIInChI=1S/C15H25NOS/c1-4-14(18-12(3)11-17)15(16-5-2)13-9-7-6-8-10-13/h6-10,12,14-17H,4-5,11H2,1-3H3
InChIKeyJSPUFDLYXDDWFL-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.23
Rot. Bonds8

About 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol

2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol (PubChem CID 113374028) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
PubChem CID113374028
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
SMILESCCNC(c1ccccc1)C(CC)SC(C)CO
InChIInChI=1S/C15H25NOS/c1-4-14(18-12(3)11-17)15(16-5-2)13-9-7-6-8-10-13/h6-10,12,14-17H,4-5,11H2,1-3H3
InChIKeyJSPUFDLYXDDWFL-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
CID 107772701
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
CID 64615452
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 66127944
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64614445
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
CID 103922515

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol?
The IUPAC name of 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol (CID 113374028) is 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol?
The canonical SMILES for 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol is CCNC(c1ccccc1)C(CC)SC(C)CO.
What is the InChIKey of 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol?
The InChIKey is JSPUFDLYXDDWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-14(18-12(3)11-17)15(16-5-2)13-9-7-6-8-10-13/h6-10,12,14-17H,4-5,11H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol?
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 113374028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).