2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine

C17H27NO2 — CID 62087299

IUPAC2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
SMILESCOC1CCCC1NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)20-15-10-8-14(9-11-15)13(3)18-16-6-5-7-17(16)19-4/h8-13,16-18H,5-7H2,1-4H3
InChIKeyWRRZCRIWVGAGDN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

About 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine

2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine (PubChem CID 62087299) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
PubChem CID62087299
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
SMILESCOC1CCCC1NC(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)20-15-10-8-14(9-11-15)13(3)18-16-6-5-7-17(16)19-4/h8-13,16-18H,5-7H2,1-4H3
InChIKeyWRRZCRIWVGAGDN-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine (CID 62087299) is 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine is COC1CCCC1NC(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is WRRZCRIWVGAGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)20-15-10-8-14(9-11-15)13(3)18-16-6-5-7-17(16)19-4/h8-13,16-18H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine?
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 62087299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).