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

C14H17NO2 — CID 62455058

IUPAC[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cccc(OCc2ccc(CN)o2)c1C
InChIInChI=1S/C14H17NO2/c1-10-4-3-5-14(11(10)2)16-9-13-7-6-12(8-15)17-13/h3-7H,8-9,15H2,1-2H3
InChIKeyRXBCGPWABVCULP-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.93
Rot. Bonds4

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

[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62455058) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62455058
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cccc(OCc2ccc(CN)o2)c1C
InChIInChI=1S/C14H17NO2/c1-10-4-3-5-14(11(10)2)16-9-13-7-6-12(8-15)17-13/h3-7H,8-9,15H2,1-2H3
InChIKeyRXBCGPWABVCULP-UHFFFAOYSA-N
XLogP2.93
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62484441
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62451638
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
[5-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62458746
3-[5-[(3-chloro-2-methylphenoxy)methyl]furan-2-yl]propan-1-amine
CID 170878777
[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 82085819
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
CID 115464752
3-[(5-bromofuran-2-yl)methoxy]-2-methylphenol
CID 43143276
[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943

Frequently Asked Questions

What is the IUPAC name of [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine (CID 62455058) is [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine is Cc1cccc(OCc2ccc(CN)o2)c1C.
What is the InChIKey of [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is RXBCGPWABVCULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-4-3-5-14(11(10)2)16-9-13-7-6-12(8-15)17-13/h3-7H,8-9,15H2,1-2H3.
What are the key properties of [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine?
[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62455058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).