6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine

C17H26FNO2 — CID 3765371

IUPAC6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine
SMILESFc1ccc(OCCCCCCNCC2CCCO2)cc1
InChIInChI=1S/C17H26FNO2/c18-15-7-9-16(10-8-15)20-12-4-2-1-3-11-19-14-17-6-5-13-21-17/h7-10,17,19H,1-6,11-14H2
InChIKeyGULXWPXWAAVKQF-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.53
Rot. Bonds10

About 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine

6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine (PubChem CID 3765371) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine
PubChem CID3765371
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine
SMILESFc1ccc(OCCCCCCNCC2CCCO2)cc1
InChIInChI=1S/C17H26FNO2/c18-15-7-9-16(10-8-15)20-12-4-2-1-3-11-19-14-17-6-5-13-21-17/h7-10,17,19H,1-6,11-14H2
InChIKeyGULXWPXWAAVKQF-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(oxolan-2-ylmethylamino)hexoxy]benzoic acid
CID 4829898
2-(3,4-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 62598927
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705
4-(2,6-dimethoxyphenoxy)-N-(oxolan-2-ylmethyl)butan-1-amine;oxalic acid
CID 2923735
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
4-(2-chloro-4,6-dimethylphenoxy)-N-(oxolan-2-ylmethyl)butan-1-amine
CID 171982079
N-[4-(4-fluorophenoxy)butyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448804
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
2-(4-fluorophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 110731293

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine?
The IUPAC name of 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine (CID 3765371) is 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine is Fc1ccc(OCCCCCCNCC2CCCO2)cc1.
What is the InChIKey of 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine?
The InChIKey is GULXWPXWAAVKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c18-15-7-9-16(10-8-15)20-12-4-2-1-3-11-19-14-17-6-5-13-21-17/h7-10,17,19H,1-6,11-14H2.
What are the key properties of 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine?
6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 3765371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).