[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine

C14H16ClNO2 — CID 62450029

IUPAC[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cc(Cl)cc(C)c1OCc1ccoc1CN
InChIInChI=1S/C14H16ClNO2/c1-9-5-12(15)6-10(2)14(9)18-8-11-3-4-17-13(11)7-16/h3-6H,7-8,16H2,1-2H3
InChIKeyQBLYNDFISUUQFI-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.59
Rot. Bonds4

About [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine

[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62450029) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62450029
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cc(Cl)cc(C)c1OCc1ccoc1CN
InChIInChI=1S/C14H16ClNO2/c1-9-5-12(15)6-10(2)14(9)18-8-11-3-4-17-13(11)7-16/h3-6H,7-8,16H2,1-2H3
InChIKeyQBLYNDFISUUQFI-UHFFFAOYSA-N
XLogP3.59
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine (CID 62450029) is [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine is Cc1cc(Cl)cc(C)c1OCc1ccoc1CN.
What is the InChIKey of [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is QBLYNDFISUUQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-5-12(15)6-10(2)14(9)18-8-11-3-4-17-13(11)7-16/h3-6H,7-8,16H2,1-2H3.
What are the key properties of [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine?
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 265.74 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62450029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).