N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine

C16H27NO — CID 54797243

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C16H27NO/c1-15(2,3)13-9-7-8-10-14(13)18-12-11-17-16(4,5)6/h7-10,17H,11-12H2,1-6H3
InChIKeyHDRXTYULJXOMRK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.75
Rot. Bonds4

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

N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 54797243) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
PubChem CID54797243
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C16H27NO/c1-15(2,3)13-9-7-8-10-14(13)18-12-11-17-16(4,5)6/h7-10,17H,11-12H2,1-6H3
InChIKeyHDRXTYULJXOMRK-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
CID 39259210
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164
N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62571794
N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 63504424
N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
CID 63506870
1-tert-butyl-2-heptoxybenzene
CID 64763672

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine (CID 54797243) is N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCOc1ccccc1C(C)(C)C.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is HDRXTYULJXOMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)13-9-7-8-10-14(13)18-12-11-17-16(4,5)6/h7-10,17H,11-12H2,1-6H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 54797243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).