1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine

C14H19NO — CID 117309769

IUPAC1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine
SMILESNC1(c2ccc(C3COC3)cc2)CCCC1
InChIInChI=1S/C14H19NO/c15-14(7-1-2-8-14)13-5-3-11(4-6-13)12-9-16-10-12/h3-6,12H,1-2,7-10,15H2
InChIKeyPAURYKFIEWYJBH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.53
Rot. Bonds2

About 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine

1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine (PubChem CID 117309769) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine
PubChem CID117309769
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine
SMILESNC1(c2ccc(C3COC3)cc2)CCCC1
InChIInChI=1S/C14H19NO/c15-14(7-1-2-8-14)13-5-3-11(4-6-13)12-9-16-10-12/h3-6,12H,1-2,7-10,15H2
InChIKeyPAURYKFIEWYJBH-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine (CID 117309769) is 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine is NC1(c2ccc(C3COC3)cc2)CCCC1.
What is the InChIKey of 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine?
The InChIKey is PAURYKFIEWYJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-14(7-1-2-8-14)13-5-3-11(4-6-13)12-9-16-10-12/h3-6,12H,1-2,7-10,15H2.
What are the key properties of 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine?
1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117309769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).