1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine

C14H19NO — CID 117309901

IUPAC1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(OCC3CC3)cc2)CCC1
InChIInChI=1S/C14H19NO/c15-14(8-1-9-14)12-4-6-13(7-5-12)16-10-11-2-3-11/h4-7,11H,1-3,8-10,15H2
InChIKeyJFFHIXBRWBZKLA-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.81
Rot. Bonds4

About 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine

1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine (PubChem CID 117309901) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
PubChem CID117309901
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(OCC3CC3)cc2)CCC1
InChIInChI=1S/C14H19NO/c15-14(8-1-9-14)12-4-6-13(7-5-12)16-10-11-2-3-11/h4-7,11H,1-3,8-10,15H2
InChIKeyJFFHIXBRWBZKLA-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine (CID 117309901) is 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine is NC1(c2ccc(OCC3CC3)cc2)CCC1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine?
The InChIKey is JFFHIXBRWBZKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-14(8-1-9-14)12-4-6-13(7-5-12)16-10-11-2-3-11/h4-7,11H,1-3,8-10,15H2.
What are the key properties of 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine?
1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117309901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).