N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine

C13H17ClFNO2 — CID 83051103

IUPACN-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
SMILESFc1cccc(Cl)c1OCCNC1CCOCC1
InChIInChI=1S/C13H17ClFNO2/c14-11-2-1-3-12(15)13(11)18-9-6-16-10-4-7-17-8-5-10/h1-3,10,16H,4-9H2
InChIKeyBUUZTCSLDKWTLS-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine

N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine (PubChem CID 83051103) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
PubChem CID83051103
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC NameN-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
SMILESFc1cccc(Cl)c1OCCNC1CCOCC1
InChIInChI=1S/C13H17ClFNO2/c14-11-2-1-3-12(15)13(11)18-9-6-16-10-4-7-17-8-5-10/h1-3,10,16H,4-9H2
InChIKeyBUUZTCSLDKWTLS-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.63
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

N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
CID 63099179
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
CID 81269341
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
CID 39760880
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
N-[2-(2-bromo-4-fluorophenoxy)ethyl]oxan-4-amine
CID 63098308
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 83050665
N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
CID 63517342
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
CID 63099009

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine (CID 83051103) is N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine is Fc1cccc(Cl)c1OCCNC1CCOCC1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine?
The InChIKey is BUUZTCSLDKWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c14-11-2-1-3-12(15)13(11)18-9-6-16-10-4-7-17-8-5-10/h1-3,10,16H,4-9H2.
What are the key properties of N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine?
N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine has a molecular weight of 273.73 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 83051103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).