[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine

C13H14ClNO2 — CID 62453737

IUPAC[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
SMILESCc1oc(COc2ccccc2Cl)cc1CN
InChIInChI=1S/C13H14ClNO2/c1-9-10(7-15)6-11(17-9)8-16-13-5-3-2-4-12(13)14/h2-6H,7-8,15H2,1H3
InChIKeyZUSSQLORTMPXJK-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.28
Rot. Bonds4

About [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine

[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine (PubChem CID 62453737) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
PubChem CID62453737
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
SMILESCc1oc(COc2ccccc2Cl)cc1CN
InChIInChI=1S/C13H14ClNO2/c1-9-10(7-15)6-11(17-9)8-16-13-5-3-2-4-12(13)14/h2-6H,7-8,15H2,1H3
InChIKeyZUSSQLORTMPXJK-UHFFFAOYSA-N
XLogP3.28
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-3-yl]methanamine
CID 62452165
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62460326
[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62486073
[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62454744
[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine
CID 117179218
[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-2-methylfuran-3-yl]methanamine
CID 62452781
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904
4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine (CID 62453737) is [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine is Cc1oc(COc2ccccc2Cl)cc1CN.
What is the InChIKey of [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The InChIKey is ZUSSQLORTMPXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-9-10(7-15)6-11(17-9)8-16-13-5-3-2-4-12(13)14/h2-6H,7-8,15H2,1H3.
What are the key properties of [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine?
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine has a molecular weight of 251.71 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 62453737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).