[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine

C15H13ClN2O2 — CID 82357475

IUPAC[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine
SMILESNCc1ccc2nc(COc3ccccc3Cl)oc2c1
InChIInChI=1S/C15H13ClN2O2/c16-11-3-1-2-4-13(11)19-9-15-18-12-6-5-10(8-17)7-14(12)20-15/h1-7H,8-9,17H2
InChIKeyMFGSWHHLAJRVFH-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.52
Rot. Bonds4

About [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine

[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine (PubChem CID 82357475) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine
PubChem CID82357475
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine
SMILESNCc1ccc2nc(COc3ccccc3Cl)oc2c1
InChIInChI=1S/C15H13ClN2O2/c16-11-3-1-2-4-13(11)19-9-15-18-12-6-5-10(8-17)7-14(12)20-15/h1-7H,8-9,17H2
InChIKeyMFGSWHHLAJRVFH-UHFFFAOYSA-N
XLogP3.52
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine
CID 117179218
2-[(5-bromo-2-chlorophenoxy)methyl]-1,3-benzoxazol-6-amine
CID 79998861
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
2-[(3-chloro-2-fluorophenoxy)methyl]-1,3-benzoxazol-5-amine
CID 116688745
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 35754836
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357445
[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine
CID 117179967
[6-(bromomethyl)-1,3-benzoxazol-2-yl]methanamine
CID 118825667
[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357690
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357531
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine?
The IUPAC name of [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine (CID 82357475) is [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine?
The canonical SMILES for [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine is NCc1ccc2nc(COc3ccccc3Cl)oc2c1.
What is the InChIKey of [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine?
The InChIKey is MFGSWHHLAJRVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-3-1-2-4-13(11)19-9-15-18-12-6-5-10(8-17)7-14(12)20-15/h1-7H,8-9,17H2.
What are the key properties of [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine?
[2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine has a molecular weight of 288.73 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine is sourced from PubChem (CID 82357475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).