(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine

C14H23NO2 — CID 2299919

IUPAC(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
SMILESCC[C@@H](C)NCCOCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-13(2)15-9-10-16-11-12-17-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-/m1/s1
InChIKeyHMHVBPYEJFXKBX-CYBMUJFWSA-N
MW237.34 g/mol
LogP2.47
Rot. Bonds9

About (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine

(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine (PubChem CID 2299919) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
PubChem CID2299919
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
SMILESCC[C@@H](C)NCCOCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-3-13(2)15-9-10-16-11-12-17-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-/m1/s1
InChIKeyHMHVBPYEJFXKBX-CYBMUJFWSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.47
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-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
N-[2-(3-phenoxyphenoxy)ethyl]butan-2-amine
CID 63516697
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
N-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935653
N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
CID 2934297
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 177320418
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
CID 2935622

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine?
The IUPAC name of (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine (CID 2299919) is (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine?
The canonical SMILES for (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine is CC[C@@H](C)NCCOCCOc1ccccc1.
What is the InChIKey of (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine?
The InChIKey is HMHVBPYEJFXKBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-13(2)15-9-10-16-11-12-17-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine?
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine is sourced from PubChem (CID 2299919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).