N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

C16H21NO3 — CID 62459920

IUPACN-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCOc1ccccc1OCc1occc1CNC(C)C
InChIInChI=1S/C16H21NO3/c1-12(2)17-10-13-8-9-19-16(13)11-20-15-7-5-4-6-14(15)18-3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyFNLSVBBPAZQRTC-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.37
Rot. Bonds7

About N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62459920) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62459920
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCOc1ccccc1OCc1occc1CNC(C)C
InChIInChI=1S/C16H21NO3/c1-12(2)17-10-13-8-9-19-16(13)11-20-15-7-5-4-6-14(15)18-3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyFNLSVBBPAZQRTC-UHFFFAOYSA-N
XLogP3.37
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63648919
N-[[2-(prop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62442277
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62445578
N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62452160
N-[[2-(cyclopentylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66323355
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[[2-(1,3-dihydroisoindol-2-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62439140

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (CID 62459920) is N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is COc1ccccc1OCc1occc1CNC(C)C.
What is the InChIKey of N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is FNLSVBBPAZQRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(2)17-10-13-8-9-19-16(13)11-20-15-7-5-4-6-14(15)18-3/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62459920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).