N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C17H23NO3 — CID 62460827

IUPACN-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1OCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C17H23NO3/c1-17(2,3)18-11-13-9-10-14(21-13)12-20-16-8-6-5-7-15(16)19-4/h5-10,18H,11-12H2,1-4H3
InChIKeyZTFFCECHQWZVLQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.76
Rot. Bonds6

About N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62460827) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62460827
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1OCc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C17H23NO3/c1-17(2,3)18-11-13-9-10-14(21-13)12-20-16-8-6-5-7-15(16)19-4/h5-10,18H,11-12H2,1-4H3
InChIKeyZTFFCECHQWZVLQ-UHFFFAOYSA-N
XLogP3.76
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62452473
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444776
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 66226145
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 103401859
N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
N-[[5-[3-(dimethylamino)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459166
5-[(2-methoxyphenoxy)methyl]-N'-pyrimidin-2-ylfuran-2-carbohydrazide
CID 87015415

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 62460827) is N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is COc1ccccc1OCc1ccc(CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZTFFCECHQWZVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,3)18-11-13-9-10-14(21-13)12-20-16-8-6-5-7-15(16)19-4/h5-10,18H,11-12H2,1-4H3.
What are the key properties of N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62460827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).