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

C16H21NO2 — CID 62452883

IUPACN-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1cccc(OCc2occc2CNC(C)C)c1
InChIInChI=1S/C16H21NO2/c1-12(2)17-10-14-7-8-18-16(14)11-19-15-6-4-5-13(3)9-15/h4-9,12,17H,10-11H2,1-3H3
InChIKeyJYKAKQRLVVKSPO-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.67
Rot. Bonds6

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

N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62452883) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62452883
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1cccc(OCc2occc2CNC(C)C)c1
InChIInChI=1S/C16H21NO2/c1-12(2)17-10-14-7-8-18-16(14)11-19-15-6-4-5-13(3)9-15/h4-9,12,17H,10-11H2,1-3H3
InChIKeyJYKAKQRLVVKSPO-UHFFFAOYSA-N
XLogP3.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62452160
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 55076853
N-[[3-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62454863
N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63648919
N-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62459920
1-[2-[(3,5-dimethylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62452698
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (CID 62452883) is N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is Cc1cccc(OCc2occc2CNC(C)C)c1.
What is the InChIKey of N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is JYKAKQRLVVKSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)17-10-14-7-8-18-16(14)11-19-15-6-4-5-13(3)9-15/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62452883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).