N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine

C16H27NO2 — CID 60688624

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-13(12-18-5)17-10-11-19-15-8-6-14(7-9-15)16(2,3)4/h6-9,13,17H,10-12H2,1-5H3
InChIKeyLLGPMUFXTGLNEL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine

N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine (PubChem CID 60688624) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine
PubChem CID60688624
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-13(12-18-5)17-10-11-19-15-8-6-14(7-9-15)16(2,3)4/h6-9,13,17H,10-12H2,1-5H3
InChIKeyLLGPMUFXTGLNEL-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.99
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-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
3-(4-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626396
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine (CID 60688624) is N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine?
The InChIKey is LLGPMUFXTGLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(12-18-5)17-10-11-19-15-8-6-14(7-9-15)16(2,3)4/h6-9,13,17H,10-12H2,1-5H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine?
N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.99, 7 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]-1-methoxypropan-2-amine is sourced from PubChem (CID 60688624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).