2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine

C22H20N2O — CID 91540232

IUPAC2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1-c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C22H20N2O/c1-23-15-14-16-8-2-3-9-17(16)18-10-4-5-11-19(18)22-20-12-6-7-13-21(20)25-24-22/h2-13,23H,14-15H2,1H3
InChIKeyXLDSPFKLMCVGGO-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.92
Rot. Bonds5

About 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine

2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine (PubChem CID 91540232) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine
PubChem CID91540232
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1-c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C22H20N2O/c1-23-15-14-16-8-2-3-9-17(16)18-10-4-5-11-19(18)22-20-12-6-7-13-21(20)25-24-22/h2-13,23H,14-15H2,1H3
InChIKeyXLDSPFKLMCVGGO-UHFFFAOYSA-N
XLogP4.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,2-benzoxazol-3-yl)phenyl]methanamine
CID 18357457
N,N-dimethyl-5-[2-[2-(methylamino)ethyl]phenyl]-1,2,4-oxadiazol-3-amine
CID 116799675
N-methyl-2-[2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 136984550
N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
CID 15550302
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
2-[3-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylethanamine
CID 116701673
N-methyl-2-[2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104548430
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine (CID 91540232) is 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine is CNCCc1ccccc1-c1ccccc1-c1noc2ccccc12.
What is the InChIKey of 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine?
The InChIKey is XLDSPFKLMCVGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-23-15-14-16-8-2-3-9-17(16)18-10-4-5-11-19(18)22-20-12-6-7-13-21(20)25-24-22/h2-13,23H,14-15H2,1H3.
What are the key properties of 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine?
2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine has a molecular weight of 328.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,2-benzoxazol-3-yl)phenyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 91540232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).