3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine

C18H29NO — CID 79643366

IUPAC3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Oc2ccccc2C(C)CC)C1
InChIInChI=1S/C18H29NO/c1-4-12-19-15-10-11-16(13-15)20-18-9-7-6-8-17(18)14(3)5-2/h6-9,14-16,19H,4-5,10-13H2,1-3H3
InChIKeyVLSYKMYGNLFWEA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.50
Rot. Bonds7

About 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine

3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine (PubChem CID 79643366) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine
PubChem CID79643366
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Oc2ccccc2C(C)CC)C1
InChIInChI=1S/C18H29NO/c1-4-12-19-15-10-11-16(13-15)20-18-9-7-6-8-17(18)14(3)5-2/h6-9,14-16,19H,4-5,10-13H2,1-3H3
InChIKeyVLSYKMYGNLFWEA-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine (CID 79643366) is 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine is CCCNC1CCC(Oc2ccccc2C(C)CC)C1.
What is the InChIKey of 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine?
The InChIKey is VLSYKMYGNLFWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-12-19-15-10-11-16(13-15)20-18-9-7-6-8-17(18)14(3)5-2/h6-9,14-16,19H,4-5,10-13H2,1-3H3.
What are the key properties of 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine?
3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-ylphenoxy)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79643366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).