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

C15H22ClNO2 — CID 55181878

IUPACN-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
SMILESCc1cc(Cl)cc(C)c1OCCNC1CCOCC1
InChIInChI=1S/C15H22ClNO2/c1-11-9-13(16)10-12(2)15(11)19-8-5-17-14-3-6-18-7-4-14/h9-10,14,17H,3-8H2,1-2H3
InChIKeyPHEKOICUUVTDNU-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.10
Rot. Bonds5

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

N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine (PubChem CID 55181878) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
PubChem CID55181878
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
SMILESCc1cc(Cl)cc(C)c1OCCNC1CCOCC1
InChIInChI=1S/C15H22ClNO2/c1-11-9-13(16)10-12(2)15(11)19-8-5-17-14-3-6-18-7-4-14/h9-10,14,17H,3-8H2,1-2H3
InChIKeyPHEKOICUUVTDNU-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.10
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-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]oxan-4-amine
CID 63100218
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63506543
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
CID 83051103
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
CID 63099179
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine
CID 63505530
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine (CID 55181878) is N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine is Cc1cc(Cl)cc(C)c1OCCNC1CCOCC1.
What is the InChIKey of N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine?
The InChIKey is PHEKOICUUVTDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-9-13(16)10-12(2)15(11)19-8-5-17-14-3-6-18-7-4-14/h9-10,14,17H,3-8H2,1-2H3.
What are the key properties of N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine?
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 55181878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).