oxetan-3-yl(phenyl)methanamine

C10H13NO — CID 155387593

IUPACoxetan-3-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1COC1
InChIInChI=1S/C10H13NO/c11-10(9-6-12-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2
InChIKeyVZNUGGQHIQAFPE-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.33
Rot. Bonds2

About oxetan-3-yl(phenyl)methanamine

oxetan-3-yl(phenyl)methanamine (PubChem CID 155387593) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is oxetan-3-yl(phenyl)methanamine.

Molecular Properties

Compound Nameoxetan-3-yl(phenyl)methanamine
PubChem CID155387593
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Nameoxetan-3-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1COC1
InChIInChI=1S/C10H13NO/c11-10(9-6-12-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2
InChIKeyVZNUGGQHIQAFPE-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(phenyl)methanamine
CID 11064121
(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol
CID 132578778
(1R)-1-(oxetan-3-yl)-2-phenylethanamine
CID 162341038
oxan-4-yl-(4-phenoxyphenyl)methanamine
CID 62906011
2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine
CID 15193417
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid
CID 66689619
3-(1-phenylethyl)oxolane
CID 150323599
2-adamantyl(phenyl)methanamine
CID 81096130
(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
CID 171234225

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl(phenyl)methanamine?
The IUPAC name of oxetan-3-yl(phenyl)methanamine (CID 155387593) is oxetan-3-yl(phenyl)methanamine.
What is the SMILES notation for oxetan-3-yl(phenyl)methanamine?
The canonical SMILES for oxetan-3-yl(phenyl)methanamine is NC(c1ccccc1)C1COC1.
What is the InChIKey of oxetan-3-yl(phenyl)methanamine?
The InChIKey is VZNUGGQHIQAFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-10(9-6-12-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2.
What are the key properties of oxetan-3-yl(phenyl)methanamine?
oxetan-3-yl(phenyl)methanamine has a molecular weight of 163.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl(phenyl)methanamine is sourced from PubChem (CID 155387593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).