N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine

C16H21NO2 — CID 63947558

IUPACN-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cccc(OCC)c1
InChIInChI=1S/C16H21NO2/c1-3-9-17-16(14-8-10-18-12-14)13-6-5-7-15(11-13)19-4-2/h5-8,10-12,16-17H,3-4,9H2,1-2H3
InChIKeyMFESGZUIQBKGDH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.77
Rot. Bonds7

About N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine

N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 63947558) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID63947558
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cccc(OCC)c1
InChIInChI=1S/C16H21NO2/c1-3-9-17-16(14-8-10-18-12-14)13-6-5-7-15(11-13)19-4-2/h5-8,10-12,16-17H,3-4,9H2,1-2H3
InChIKeyMFESGZUIQBKGDH-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(furan-3-yl)methanol
CID 63948949
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
1-(3-ethoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175084
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine
CID 114030122
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 79747443
N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 114024207

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine (CID 63947558) is N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1cccc(OCC)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is MFESGZUIQBKGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-9-17-16(14-8-10-18-12-14)13-6-5-7-15(11-13)19-4-2/h5-8,10-12,16-17H,3-4,9H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine?
N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63947558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).