N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine

C16H19NOS — CID 104531327

IUPACN-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NOS/c1-2-12-19-13-10-17-16(15-9-6-11-18-15)14-7-4-3-5-8-14/h2-9,11,16-17H,1,10,12-13H2
InChIKeyPBKXWDIHNOGZER-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.88
Rot. Bonds8

About N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine

N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine (PubChem CID 104531327) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine
PubChem CID104531327
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NOS/c1-2-12-19-13-10-17-16(15-9-6-11-18-15)14-7-4-3-5-8-14/h2-9,11,16-17H,1,10,12-13H2
InChIKeyPBKXWDIHNOGZER-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104926281
N-benzhydryl-2-ethylsulfanylethanamine
CID 115635448
2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide
CID 102675958
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 104531158
3-methyl-2-phenyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106425394
2-phenyl-3-(2-prop-2-enylsulfanylethylamino)propanenitrile
CID 106428236
1-(3-bromophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115667995
N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine
CID 115889063
1-(furan-2-yl)-1-phenyl-N-(thiophen-3-ylmethyl)methanamine
CID 60669470
3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
CID 104531149

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine (CID 104531327) is N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine is C=CCSCCNC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine?
The InChIKey is PBKXWDIHNOGZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-12-19-13-10-17-16(15-9-6-11-18-15)14-7-4-3-5-8-14/h2-9,11,16-17H,1,10,12-13H2.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine?
N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.88, 8 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]-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 104531327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).