3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine

C17H23NO4 — CID 3695807

IUPAC3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
SMILESCOc1cccc(OC)c1OCC(C)CNCc1ccco1
InChIInChI=1S/C17H23NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4-9,13,18H,10-12H2,1-3H3
InChIKeyJBVSJKDSDONGIE-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.10
Rot. Bonds9

About 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine

3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 3695807) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID3695807
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
SMILESCOc1cccc(OC)c1OCC(C)CNCc1ccco1
InChIInChI=1S/C17H23NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4-9,13,18H,10-12H2,1-3H3
InChIKeyJBVSJKDSDONGIE-UHFFFAOYSA-N
XLogP3.10
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62450721
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
CID 62451084
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331655
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 6464080
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331643
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112510911
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine (CID 3695807) is 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine is COc1cccc(OC)c1OCC(C)CNCc1ccco1.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is JBVSJKDSDONGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(10-18-11-14-6-5-9-21-14)12-22-17-15(19-2)7-4-8-16(17)20-3/h4-9,13,18H,10-12H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine?
3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 305.37 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 3695807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).