(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine

C16H21NO2 — CID 81403687

IUPAC(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CN[C@H](C)c2ccco2)c1
InChIInChI=1S/C16H21NO2/c1-3-9-18-15-7-4-6-14(11-15)12-17-13(2)16-8-5-10-19-16/h4-8,10-11,13,17H,3,9,12H2,1-2H3/t13-/m1/s1
InChIKeyBLGQKATXISDVND-CYBMUJFWSA-N
MW259.35 g/mol
LogP3.92
Rot. Bonds7

About (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine

(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (PubChem CID 81403687) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
PubChem CID81403687
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CN[C@H](C)c2ccco2)c1
InChIInChI=1S/C16H21NO2/c1-3-9-18-15-7-4-6-14(11-15)12-17-13(2)16-8-5-10-19-16/h4-8,10-11,13,17H,3,9,12H2,1-2H3/t13-/m1/s1
InChIKeyBLGQKATXISDVND-CYBMUJFWSA-N
XLogP3.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81363781
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60956086
1-N-methyl-2-N-[(3-propoxyphenyl)methyl]propane-1,2-diamine
CID 113407229
3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
CID 43401833

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (CID 81403687) is (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(CN[C@H](C)c2ccco2)c1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is BLGQKATXISDVND-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-9-18-15-7-4-6-14(11-15)12-17-13(2)16-8-5-10-19-16/h4-8,10-11,13,17H,3,9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.92, 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-[(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81403687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).