5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol

C14H23NOS — CID 66348613

IUPAC5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
SMILESCCNCc1cccc(SCCCCCO)c1
InChIInChI=1S/C14H23NOS/c1-2-15-12-13-7-6-8-14(11-13)17-10-5-3-4-9-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3
InChIKeyLLCKGGMYHOQFDA-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.05
Rot. Bonds9

About 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol

5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol (PubChem CID 66348613) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
PubChem CID66348613
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
SMILESCCNCc1cccc(SCCCCCO)c1
InChIInChI=1S/C14H23NOS/c1-2-15-12-13-7-6-8-14(11-13)17-10-5-3-4-9-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3
InChIKeyLLCKGGMYHOQFDA-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.05
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

4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276
N-[(3-pentylsulfanylphenyl)methyl]ethanamine
CID 66348037
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
N-[(3-nonylsulfanylphenyl)methyl]propan-1-amine
CID 66348443
5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
CID 66347513
4-[3-(ethylaminomethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349601
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608
N-[[3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]phenyl]methyl]ethanamine
CID 112591913
N-[(3-pent-3-ynylsulfanylphenyl)methyl]ethanamine
CID 104811494
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
2-methyl-N-[(3-pentylsulfanylphenyl)methyl]propan-1-amine
CID 66349687

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol?
The IUPAC name of 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol (CID 66348613) is 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol.
What is the SMILES notation for 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol?
The canonical SMILES for 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol is CCNCc1cccc(SCCCCCO)c1.
What is the InChIKey of 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol?
The InChIKey is LLCKGGMYHOQFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-15-12-13-7-6-8-14(11-13)17-10-5-3-4-9-16/h6-8,11,15-16H,2-5,9-10,12H2,1H3.
What are the key properties of 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol?
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol is sourced from PubChem (CID 66348613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).