3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine

C18H29NO — CID 10588458

IUPAC3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCOc1ccccc1C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-13-19(2)14-8-15-20-18-12-7-6-11-17(18)16-9-4-5-10-16/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3
InChIKeyRLSYLPDNQBLNLB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.45
Rot. Bonds8

About 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine

3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine (PubChem CID 10588458) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine
PubChem CID10588458
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCOc1ccccc1C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-13-19(2)14-8-15-20-18-12-7-6-11-17(18)16-9-4-5-10-16/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3
InChIKeyRLSYLPDNQBLNLB-UHFFFAOYSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine (CID 10588458) is 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine is CCCN(C)CCCOc1ccccc1C1CCCC1.
What is the InChIKey of 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine?
The InChIKey is RLSYLPDNQBLNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-13-19(2)14-8-15-20-18-12-7-6-11-17(18)16-9-4-5-10-16/h6-7,11-12,16H,3-5,8-10,13-15H2,1-2H3.
What are the key properties of 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine?
3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylphenoxy)-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 10588458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).