2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine

C17H27NO — CID 62937136

IUPAC2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCCOc1ccccc1
InChIInChI=1S/C17H27NO/c1-2-13-18-17-12-6-8-15(17)9-7-14-19-16-10-4-3-5-11-16/h3-5,10-11,15,17-18H,2,6-9,12-14H2,1H3
InChIKeyGAIIORPJQWCTJS-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.01
Rot. Bonds8

About 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine

2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine (PubChem CID 62937136) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
PubChem CID62937136
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCCOc1ccccc1
InChIInChI=1S/C17H27NO/c1-2-13-18-17-12-6-8-15(17)9-7-14-19-16-10-4-3-5-11-16/h3-5,10-11,15,17-18H,2,6-9,12-14H2,1H3
InChIKeyGAIIORPJQWCTJS-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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

2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 81026864
[2-(2-phenoxyethylamino)cyclopentyl]methanol
CID 106360671
2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79572785
2-[2-(3-bromophenoxy)ethyl]-N-propylcycloheptan-1-amine
CID 63403474
2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65180373
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79576350
3-(2-chlorocyclopentyl)propoxybenzene
CID 63461824
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 81027435
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 102981137
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine (CID 62937136) is 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCCOc1ccccc1.
What is the InChIKey of 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine?
The InChIKey is GAIIORPJQWCTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-13-18-17-12-6-8-15(17)9-7-14-19-16-10-4-3-5-11-16/h3-5,10-11,15,17-18H,2,6-9,12-14H2,1H3.
What are the key properties of 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine?
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62937136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).