2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol

C14H23NOS — CID 64615452

IUPAC2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
SMILESCCNC(c1ccccc1)C(CC)SCCO
InChIInChI=1S/C14H23NOS/c1-3-13(17-11-10-16)14(15-4-2)12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3
InChIKeyHZZDDCZCPDJFOS-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.84
Rot. Bonds8

About 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol

2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol (PubChem CID 64615452) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
PubChem CID64615452
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
SMILESCCNC(c1ccccc1)C(CC)SCCO
InChIInChI=1S/C14H23NOS/c1-3-13(17-11-10-16)14(15-4-2)12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3
InChIKeyHZZDDCZCPDJFOS-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 66127944
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 113374028
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
CID 107772701
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271
2-[2-(methylamino)-1,2-diphenylethyl]sulfanylethanol
CID 64614405
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol?
The IUPAC name of 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol (CID 64615452) is 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol.
What is the SMILES notation for 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol?
The canonical SMILES for 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol is CCNC(c1ccccc1)C(CC)SCCO.
What is the InChIKey of 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol?
The InChIKey is HZZDDCZCPDJFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-13(17-11-10-16)14(15-4-2)12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol?
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol has a molecular weight of 253.41 g/mol, XLogP of 2.84, 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]sulfanylethanol is sourced from PubChem (CID 64615452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).