N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine

C17H27NO2 — CID 63099175

IUPACN-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
SMILESCC(C)(C)c1ccc(OCCNC2CCOCC2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2,3)14-4-6-16(7-5-14)20-13-10-18-15-8-11-19-12-9-15/h4-7,15,18H,8-13H2,1-3H3
InChIKeyXHHDVKKNSVBDKG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine

N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine (PubChem CID 63099175) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
PubChem CID63099175
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
SMILESCC(C)(C)c1ccc(OCCNC2CCOCC2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2,3)14-4-6-16(7-5-14)20-13-10-18-15-8-11-19-12-9-15/h4-7,15,18H,8-13H2,1-3H3
InChIKeyXHHDVKKNSVBDKG-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.13
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-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-[3-(4-tert-butylphenoxy)propyl]cyclopentanamine;oxalic acid
CID 2948780
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
CID 63099009
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
CID 63100210
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
CID 63099181
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
CID 60664263
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine (CID 63099175) is N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine is CC(C)(C)c1ccc(OCCNC2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine?
The InChIKey is XHHDVKKNSVBDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)14-4-6-16(7-5-14)20-13-10-18-15-8-11-19-12-9-15/h4-7,15,18H,8-13H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine?
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 63099175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).