3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine

C17H23NO2S — CID 43110405

IUPAC3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
SMILESCSc1ccc(C(C)NCCCOCc2ccco2)cc1
InChIInChI=1S/C17H23NO2S/c1-14(15-6-8-17(21-2)9-7-15)18-10-4-11-19-13-16-5-3-12-20-16/h3,5-9,12,14,18H,4,10-11,13H2,1-2H3
InChIKeyLRXKZILNNDAXOC-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.26
Rot. Bonds9

About 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine

3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine (PubChem CID 43110405) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
PubChem CID43110405
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
SMILESCSc1ccc(C(C)NCCCOCc2ccco2)cc1
InChIInChI=1S/C17H23NO2S/c1-14(15-6-8-17(21-2)9-7-15)18-10-4-11-19-13-16-5-3-12-20-16/h3,5-9,12,14,18H,4,10-11,13H2,1-2H3
InChIKeyLRXKZILNNDAXOC-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 43205746
3-(furan-2-ylmethoxy)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43205758
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
N-[3-(furan-2-ylmethoxy)propyl]-3-methoxybutan-2-amine
CID 115707867
3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 64993148
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 81296846
3-(furan-2-ylmethoxy)-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43363264
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine
CID 63649726
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
1-[2-(4-fluorophenyl)sulfanylethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111567475
1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
CID 43100874

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine (CID 43110405) is 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine is CSc1ccc(C(C)NCCCOCc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine?
The InChIKey is LRXKZILNNDAXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-14(15-6-8-17(21-2)9-7-15)18-10-4-11-19-13-16-5-3-12-20-16/h3,5-9,12,14,18H,4,10-11,13H2,1-2H3.
What are the key properties of 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine?
3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43110405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).