N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine

C17H23NOS — CID 104926281

IUPACN-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H23NOS/c1-20-14-7-3-6-12-18-17(16-11-8-13-19-16)15-9-4-2-5-10-15/h2,4-5,8-11,13,17-18H,3,6-7,12,14H2,1H3
InChIKeyNQHIOQDSFYQZGB-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.49
Rot. Bonds9

About N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine

N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine (PubChem CID 104926281) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine
PubChem CID104926281
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNC(c1ccccc1)c1ccco1
InChIInChI=1S/C17H23NOS/c1-20-14-7-3-6-12-18-17(16-11-8-13-19-16)15-9-4-2-5-10-15/h2,4-5,8-11,13,17-18H,3,6-7,12,14H2,1H3
InChIKeyNQHIOQDSFYQZGB-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.49
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

5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
CID 104926413
4-methylsulfanyl-N-(1-phenylethyl)butan-1-amine
CID 115668102
N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 104531327
2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide
CID 102675958
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
N-benzhydryldecan-1-amine
CID 57251579
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 104531158

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine (CID 104926281) is N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine is CSCCCCCNC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine?
The InChIKey is NQHIOQDSFYQZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-20-14-7-3-6-12-18-17(16-11-8-13-19-16)15-9-4-2-5-10-15/h2,4-5,8-11,13,17-18H,3,6-7,12,14H2,1H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine?
N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 104926281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).