N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine

C16H27NO2 — CID 2276712

IUPACN-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)15-5-7-16(8-6-15)19-12-11-18-10-9-17-14(3)4/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyAYQIJELFQBKLER-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.20
Rot. Bonds9

About N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine

N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 2276712) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
PubChem CID2276712
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)15-5-7-16(8-6-15)19-12-11-18-10-9-17-14(3)4/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyAYQIJELFQBKLER-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.20
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-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 170953319
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
2-methyl-1-[2-(4-propan-2-ylphenoxy)ethoxy]propan-2-amine
CID 82354139
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene
CID 176559998
N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
CID 176845634
N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280812
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 3850725
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine (CID 2276712) is N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOc1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is AYQIJELFQBKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)15-5-7-16(8-6-15)19-12-11-18-10-9-17-14(3)4/h5-8,13-14,17H,9-12H2,1-4H3.
What are the key properties of N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 2276712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).