N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine

C17H27NO2 — CID 65164198

IUPACN-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
SMILESCCNC(CCCC1CCCO1)COc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-18-15(8-6-11-16-12-7-13-19-16)14-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,2,6-8,11-14H2,1H3
InChIKeyNVCZLQMCNLVZLV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.39
Rot. Bonds9

About N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine

N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine (PubChem CID 65164198) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
PubChem CID65164198
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
SMILESCCNC(CCCC1CCCO1)COc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-18-15(8-6-11-16-12-7-13-19-16)14-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,2,6-8,11-14H2,1H3
InChIKeyNVCZLQMCNLVZLV-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
CID 65164248
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
CID 104992984
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079
N-ethyl-1-(oxolan-2-yl)-5-pyridin-2-ylpentan-3-amine
CID 105156934
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine?
The IUPAC name of N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine (CID 65164198) is N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine.
What is the SMILES notation for N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine?
The canonical SMILES for N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine is CCNC(CCCC1CCCO1)COc1ccccc1.
What is the InChIKey of N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine?
The InChIKey is NVCZLQMCNLVZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-18-15(8-6-11-16-12-7-13-19-16)14-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,2,6-8,11-14H2,1H3.
What are the key properties of N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine?
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine is sourced from PubChem (CID 65164198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).