N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine

C16H27NO4 — CID 2934297

IUPACN-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCCOc1c(OC)cccc1OC
InChIInChI=1S/C16H27NO4/c1-5-13(2)17-9-10-20-11-12-21-16-14(18-3)7-6-8-15(16)19-4/h6-8,13,17H,5,9-12H2,1-4H3
InChIKeyCRQMEHYYEVMXOR-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.49
Rot. Bonds11

About N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine

N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine (PubChem CID 2934297) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
PubChem CID2934297
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCCOc1c(OC)cccc1OC
InChIInChI=1S/C16H27NO4/c1-5-13(2)17-9-10-20-11-12-21-16-14(18-3)7-6-8-15(16)19-4/h6-8,13,17H,5,9-12H2,1-4H3
InChIKeyCRQMEHYYEVMXOR-UHFFFAOYSA-N
XLogP2.49
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methylbutan-2-amine
CID 62570987
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2936136
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
CID 2935622
(2S)-N-[2-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2181758
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2184444
N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935222
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 3850725
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine?
The IUPAC name of N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine (CID 2934297) is N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine is CCC(C)NCCOCCOc1c(OC)cccc1OC.
What is the InChIKey of N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine?
The InChIKey is CRQMEHYYEVMXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-13(2)17-9-10-20-11-12-21-16-14(18-3)7-6-8-15(16)19-4/h6-8,13,17H,5,9-12H2,1-4H3.
What are the key properties of N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine?
N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine has a molecular weight of 297.39 g/mol, XLogP of 2.49, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine is sourced from PubChem (CID 2934297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).