[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine

C14H17NO4 — CID 62449636

IUPAC[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
SMILESCOc1cccc(OC)c1OCc1cc(CN)co1
InChIInChI=1S/C14H17NO4/c1-16-12-4-3-5-13(17-2)14(12)19-9-11-6-10(7-15)8-18-11/h3-6,8H,7,9,15H2,1-2H3
InChIKeyRNEBRVZSRFTACC-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.33
Rot. Bonds6

About [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine

[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine (PubChem CID 62449636) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
PubChem CID62449636
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
SMILESCOc1cccc(OC)c1OCc1cc(CN)co1
InChIInChI=1S/C14H17NO4/c1-16-12-4-3-5-13(17-2)14(12)19-9-11-6-10(7-15)8-18-11/h3-6,8H,7,9,15H2,1-2H3
InChIKeyRNEBRVZSRFTACC-UHFFFAOYSA-N
XLogP2.33
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62451638
[5-[(3-chloro-2-fluorophenoxy)methyl]furan-3-yl]methanamine
CID 116690352
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
CID 63648763
[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728963
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine
CID 115493308
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
[5-(2-ethoxyethoxymethyl)furan-3-yl]methanamine
CID 62444313
4-[(2,6-dimethoxyphenoxy)methyl]pyridin-2-amine
CID 62464577
2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768237
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine (CID 62449636) is [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine is COc1cccc(OC)c1OCc1cc(CN)co1.
What is the InChIKey of [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is RNEBRVZSRFTACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-16-12-4-3-5-13(17-2)14(12)19-9-11-6-10(7-15)8-18-11/h3-6,8H,7,9,15H2,1-2H3.
What are the key properties of [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine?
[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 263.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62449636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).