N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

C16H27NO2 — CID 112587927

IUPACN-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-6-17-13(2)14-7-9-15(10-8-14)18-11-12-19-16(3,4)5/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyBQLCHBARLQIJCZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds7

About N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (PubChem CID 112587927) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
PubChem CID112587927
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-6-17-13(2)14-7-9-15(10-8-14)18-11-12-19-16(3,4)5/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyBQLCHBARLQIJCZ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60880991
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505631
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
3-[4-[1-(ethylamino)ethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (CID 112587927) is N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is CCNC(C)c1ccc(OCCOC(C)(C)C)cc1.
What is the InChIKey of N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The InChIKey is BQLCHBARLQIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17-13(2)14-7-9-15(10-8-14)18-11-12-19-16(3,4)5/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 112587927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).