(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

C16H19NO2 — CID 81402794

IUPAC(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@H](C)c2ccco2)cc1
InChIInChI=1S/C16H19NO2/c1-3-10-18-15-8-6-14(7-9-15)12-17-13(2)16-5-4-11-19-16/h3-9,11,13,17H,1,10,12H2,2H3/t13-/m1/s1
InChIKeyUAUNPSMGFVLNCQ-CYBMUJFWSA-N
MW257.33 g/mol
LogP3.70
Rot. Bonds7

About (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 81402794) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID81402794
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@H](C)c2ccco2)cc1
InChIInChI=1S/C16H19NO2/c1-3-10-18-15-8-6-14(7-9-15)12-17-13(2)16-5-4-11-19-16/h3-9,11,13,17H,1,10,12H2,2H3/t13-/m1/s1
InChIKeyUAUNPSMGFVLNCQ-CYBMUJFWSA-N
XLogP3.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182769
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine
CID 11233153
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28623629
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
1-(3-bromophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 43426685
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
CID 81403321
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (CID 81402794) is (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccc(CN[C@H](C)c2ccco2)cc1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is UAUNPSMGFVLNCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-10-18-15-8-6-14(7-9-15)12-17-13(2)16-5-4-11-19-16/h3-9,11,13,17H,1,10,12H2,2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 257.33 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81402794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).