N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine

C18H21NO — CID 116869650

IUPACN-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine
SMILESCNCCC1(c2ccc(-c3ccccc3)cc2)COC1
InChIInChI=1S/C18H21NO/c1-19-12-11-18(13-20-14-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3
InChIKeyFEBLLGZLXMPUHU-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.23
Rot. Bonds5

About N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine

N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine (PubChem CID 116869650) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine
PubChem CID116869650
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine
SMILESCNCCC1(c2ccc(-c3ccccc3)cc2)COC1
InChIInChI=1S/C18H21NO/c1-19-12-11-18(13-20-14-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3
InChIKeyFEBLLGZLXMPUHU-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine (CID 116869650) is N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine is CNCCC1(c2ccc(-c3ccccc3)cc2)COC1.
What is the InChIKey of N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine?
The InChIKey is FEBLLGZLXMPUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-12-11-18(13-20-14-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3.
What are the key properties of N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine?
N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(4-phenylphenyl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).