6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol

C16H27NOS — CID 107707219

IUPAC6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
SMILESCCNC(C)c1cccc(SCCCCCCO)c1
InChIInChI=1S/C16H27NOS/c1-3-17-14(2)15-9-8-10-16(13-15)19-12-7-5-4-6-11-18/h8-10,13-14,17-18H,3-7,11-12H2,1-2H3
InChIKeyBRFVNPNNWQZHPB-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.00
Rot. Bonds10

About 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol

6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol (PubChem CID 107707219) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol.

Molecular Properties

Compound Name6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
PubChem CID107707219
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
SMILESCCNC(C)c1cccc(SCCCCCCO)c1
InChIInChI=1S/C16H27NOS/c1-3-17-14(2)15-9-8-10-16(13-15)19-12-7-5-4-6-11-18/h8-10,13-14,17-18H,3-7,11-12H2,1-2H3
InChIKeyBRFVNPNNWQZHPB-UHFFFAOYSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.00
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

5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
4-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 64661544
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylbutanamide
CID 64663796
N-[1-(3-heptylsulfanylphenyl)ethyl]propan-1-amine
CID 64665512
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]-N-ethylethanamine
CID 64663802
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701
N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine
CID 64666998
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-2,2-dimethylbutanenitrile
CID 65251700

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol?
The IUPAC name of 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol (CID 107707219) is 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol.
What is the SMILES notation for 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol?
The canonical SMILES for 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol is CCNC(C)c1cccc(SCCCCCCO)c1.
What is the InChIKey of 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol?
The InChIKey is BRFVNPNNWQZHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-3-17-14(2)15-9-8-10-16(13-15)19-12-7-5-4-6-11-18/h8-10,13-14,17-18H,3-7,11-12H2,1-2H3.
What are the key properties of 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol?
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol has a molecular weight of 281.46 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol is sourced from PubChem (CID 107707219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).