3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol

C15H25NOS — CID 66127944

IUPAC3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
SMILESCCNC(c1ccccc1)C(CC)SCCCO
InChIInChI=1S/C15H25NOS/c1-3-14(18-12-8-11-17)15(16-4-2)13-9-6-5-7-10-13/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3
InChIKeyFMTNZNGTPJPUNU-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.23
Rot. Bonds9

About 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol

3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol (PubChem CID 66127944) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
PubChem CID66127944
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
SMILESCCNC(c1ccccc1)C(CC)SCCCO
InChIInChI=1S/C15H25NOS/c1-3-14(18-12-8-11-17)15(16-4-2)13-9-6-5-7-10-13/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3
InChIKeyFMTNZNGTPJPUNU-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
CID 64615452
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 113374028
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
CID 107772701
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol?
The IUPAC name of 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol (CID 66127944) is 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol is CCNC(c1ccccc1)C(CC)SCCCO.
What is the InChIKey of 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol?
The InChIKey is FMTNZNGTPJPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-14(18-12-8-11-17)15(16-4-2)13-9-6-5-7-10-13/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3.
What are the key properties of 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol?
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 66127944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).