(1R)-1-(oxetan-3-yl)-2-phenylethanamine

C11H15NO — CID 162341038

IUPAC(1R)-1-(oxetan-3-yl)-2-phenylethanamine
SMILESN[C@H](Cc1ccccc1)C1COC1
InChIInChI=1S/C11H15NO/c12-11(10-7-13-8-10)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t11-/m1/s1
InChIKeyHCNXDLFONZBAMO-LLVKDONJSA-N
MW177.25 g/mol
LogP1.20
Rot. Bonds3

About (1R)-1-(oxetan-3-yl)-2-phenylethanamine

(1R)-1-(oxetan-3-yl)-2-phenylethanamine (PubChem CID 162341038) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1R)-1-(oxetan-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-(oxetan-3-yl)-2-phenylethanamine
PubChem CID162341038
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1R)-1-(oxetan-3-yl)-2-phenylethanamine
SMILESN[C@H](Cc1ccccc1)C1COC1
InChIInChI=1S/C11H15NO/c12-11(10-7-13-8-10)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t11-/m1/s1
InChIKeyHCNXDLFONZBAMO-LLVKDONJSA-N
XLogP1.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
CID 23382360
1-cyclopentyl-2-phenylethanamine
CID 50988646
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
1-(5-oxaspiro[3.5]nonan-8-yl)-2-phenylethanamine
CID 79921850
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
1-(1-ethylpiperidin-4-yl)-2-phenylethanamine
CID 142846398
2-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404384
oxetan-3-yl(phenyl)methanamine
CID 155387593
trans-(1R,3R)-2-[(1R)-1-amino-2-phenylethyl]cyclopentane-1,3-diol
CID 141079078
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-phenylethanamine
CID 68893526
3-(1-bromo-2-phenylethyl)oxolane
CID 63018732
1-(oxan-4-yl)-3-phenylpropan-2-amine
CID 62606455

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(oxetan-3-yl)-2-phenylethanamine?
The IUPAC name of (1R)-1-(oxetan-3-yl)-2-phenylethanamine (CID 162341038) is (1R)-1-(oxetan-3-yl)-2-phenylethanamine.
What is the SMILES notation for (1R)-1-(oxetan-3-yl)-2-phenylethanamine?
The canonical SMILES for (1R)-1-(oxetan-3-yl)-2-phenylethanamine is N[C@H](Cc1ccccc1)C1COC1.
What is the InChIKey of (1R)-1-(oxetan-3-yl)-2-phenylethanamine?
The InChIKey is HCNXDLFONZBAMO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c12-11(10-7-13-8-10)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t11-/m1/s1.
What are the key properties of (1R)-1-(oxetan-3-yl)-2-phenylethanamine?
(1R)-1-(oxetan-3-yl)-2-phenylethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(oxetan-3-yl)-2-phenylethanamine is sourced from PubChem (CID 162341038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).