N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine

C17H27NO — CID 103273388

IUPACN-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2cccc(CC)c2)CCC1
InChIInChI=1S/C17H27NO/c1-3-12-18-13-11-17(9-6-10-17)19-16-8-5-7-15(4-2)14-16/h5,7-8,14,18H,3-4,6,9-13H2,1-2H3
InChIKeyZLCDRTXCJHBGEF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine

N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103273388) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103273388
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(Oc2cccc(CC)c2)CCC1
InChIInChI=1S/C17H27NO/c1-3-12-18-13-11-17(9-6-10-17)19-16-8-5-7-15(4-2)14-16/h5,7-8,14,18H,3-4,6,9-13H2,1-2H3
InChIKeyZLCDRTXCJHBGEF-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(3-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273876
N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273824
N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine
CID 103273839
5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956
N-[2-[1-(2,5-dichlorophenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273491
N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine
CID 114199408
N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273857
N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273476
N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103273548
N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559669
N-[2-[1-(1-propylpyrazol-4-yl)oxycyclobutyl]ethyl]propan-1-amine
CID 103274478
N-[2-[1-(2,3,5-trimethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273818

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine (CID 103273388) is N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(Oc2cccc(CC)c2)CCC1.
What is the InChIKey of N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is ZLCDRTXCJHBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-12-18-13-11-17(9-6-10-17)19-16-8-5-7-15(4-2)14-16/h5,7-8,14,18H,3-4,6,9-13H2,1-2H3.
What are the key properties of N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103273388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).