N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine

C15H23NO2 — CID 63099519

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
SMILESCc1ccc(C)c(OCCNC2CCOCC2)c1
InChIInChI=1S/C15H23NO2/c1-12-3-4-13(2)15(11-12)18-10-7-16-14-5-8-17-9-6-14/h3-4,11,14,16H,5-10H2,1-2H3
InChIKeyDOSQPVNWRHABBZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine

N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine (PubChem CID 63099519) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
PubChem CID63099519
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
SMILESCc1ccc(C)c(OCCNC2CCOCC2)c1
InChIInChI=1S/C15H23NO2/c1-12-3-4-13(2)15(11-12)18-10-7-16-14-5-8-17-9-6-14/h3-4,11,14,16H,5-10H2,1-2H3
InChIKeyDOSQPVNWRHABBZ-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.45
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-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
3-[2-(2,5-dimethylphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63043519
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]oxan-4-amine
CID 63100218
N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine
CID 45097626
N-[2-(2-bromo-4-fluorophenoxy)ethyl]oxan-4-amine
CID 63098308
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine (CID 63099519) is N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine is Cc1ccc(C)c(OCCNC2CCOCC2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine?
The InChIKey is DOSQPVNWRHABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-3-4-13(2)15(11-12)18-10-7-16-14-5-8-17-9-6-14/h3-4,11,14,16H,5-10H2,1-2H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine?
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine has a molecular weight of 249.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 63099519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).