3-(4-ethylsulfanylphenoxy)propan-1-amine

C11H17NOS — CID 98783329

IUPAC3-(4-ethylsulfanylphenoxy)propan-1-amine
SMILESCCSc1ccc(OCCCN)cc1
InChIInChI=1S/C11H17NOS/c1-2-14-11-6-4-10(5-7-11)13-9-3-8-12/h4-7H,2-3,8-9,12H2,1H3
InChIKeyQKJYUGBLNNDLDG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.53
Rot. Bonds6

About 3-(4-ethylsulfanylphenoxy)propan-1-amine

3-(4-ethylsulfanylphenoxy)propan-1-amine (PubChem CID 98783329) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-(4-ethylsulfanylphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethylsulfanylphenoxy)propan-1-amine
PubChem CID98783329
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-(4-ethylsulfanylphenoxy)propan-1-amine
SMILESCCSc1ccc(OCCCN)cc1
InChIInChI=1S/C11H17NOS/c1-2-14-11-6-4-10(5-7-11)13-9-3-8-12/h4-7H,2-3,8-9,12H2,1H3
InChIKeyQKJYUGBLNNDLDG-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
1-chloro-4-[3-(4-ethoxyphenoxy)propylsulfanyl]benzene
CID 2283089
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-[4-[2-[3,5-bis[2-[4-(3-aminopropoxy)phenyl]ethynyl]phenyl]ethynyl]phenoxy]propan-1-amine
CID 122211847
N'-(4-ethylsulfanylphenyl)propane-1,3-diamine
CID 98783323
CID 69077180
CID 69077180
(4-ethylsulfanylphenyl)methanamine
CID 12842467
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
3-(4-ethynylphenoxy)propan-1-amine
CID 138985437

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfanylphenoxy)propan-1-amine?
The IUPAC name of 3-(4-ethylsulfanylphenoxy)propan-1-amine (CID 98783329) is 3-(4-ethylsulfanylphenoxy)propan-1-amine.
What is the SMILES notation for 3-(4-ethylsulfanylphenoxy)propan-1-amine?
The canonical SMILES for 3-(4-ethylsulfanylphenoxy)propan-1-amine is CCSc1ccc(OCCCN)cc1.
What is the InChIKey of 3-(4-ethylsulfanylphenoxy)propan-1-amine?
The InChIKey is QKJYUGBLNNDLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-14-11-6-4-10(5-7-11)13-9-3-8-12/h4-7H,2-3,8-9,12H2,1H3.
What are the key properties of 3-(4-ethylsulfanylphenoxy)propan-1-amine?
3-(4-ethylsulfanylphenoxy)propan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfanylphenoxy)propan-1-amine is sourced from PubChem (CID 98783329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).