1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine

C12H15NO — CID 84771178

IUPAC1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2cccc(C3COC3)c2)CC1
InChIInChI=1S/C12H15NO/c13-12(4-5-12)11-3-1-2-9(6-11)10-7-14-8-10/h1-3,6,10H,4-5,7-8,13H2
InChIKeyIQYDKBRQJMGAAO-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.75
Rot. Bonds2

About 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine

1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine (PubChem CID 84771178) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine
PubChem CID84771178
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2cccc(C3COC3)c2)CC1
InChIInChI=1S/C12H15NO/c13-12(4-5-12)11-3-1-2-9(6-11)10-7-14-8-10/h1-3,6,10H,4-5,7-8,13H2
InChIKeyIQYDKBRQJMGAAO-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine (CID 84771178) is 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine is NC1(c2cccc(C3COC3)c2)CC1.
What is the InChIKey of 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine?
The InChIKey is IQYDKBRQJMGAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-12(4-5-12)11-3-1-2-9(6-11)10-7-14-8-10/h1-3,6,10H,4-5,7-8,13H2.
What are the key properties of 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine?
1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84771178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).