methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate

C15H24N2O3 — CID 107444896

IUPACmethyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)17-10-9-16-12-5-7-13(8-6-12)20-11-14(18)19-4/h5-8,16-17H,9-11H2,1-4H3
InChIKeyCJNYJCDNRGPKNY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.04
Rot. Bonds7

About methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate

methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate (PubChem CID 107444896) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate
PubChem CID107444896
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)17-10-9-16-12-5-7-13(8-6-12)20-11-14(18)19-4/h5-8,16-17H,9-11H2,1-4H3
InChIKeyCJNYJCDNRGPKNY-UHFFFAOYSA-N
XLogP2.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-[(4-bromophenyl)methylamino]phenoxy]acetate
CID 43676782
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate
CID 2800845
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
CID 59253966
methyl 2-[4-[(2-bromophenyl)methylamino]phenoxy]acetate
CID 43676822
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate (CID 107444896) is methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate is COC(=O)COc1ccc(NCCNC(C)(C)C)cc1.
What is the InChIKey of methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate?
The InChIKey is CJNYJCDNRGPKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)17-10-9-16-12-5-7-13(8-6-12)20-11-14(18)19-4/h5-8,16-17H,9-11H2,1-4H3.
What are the key properties of methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate?
methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate has a molecular weight of 280.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate is sourced from PubChem (CID 107444896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).