methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate

C16H25NO3 — CID 115461715

IUPACmethyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate
SMILESCCCCOCCNCc1ccccc1CC(=O)OC
InChIInChI=1S/C16H25NO3/c1-3-4-10-20-11-9-17-13-15-8-6-5-7-14(15)12-16(18)19-2/h5-8,17H,3-4,9-13H2,1-2H3
InChIKeyZSFLVWXQFUWCMC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.31
Rot. Bonds10

About methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate

methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate (PubChem CID 115461715) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate
PubChem CID115461715
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate
SMILESCCCCOCCNCc1ccccc1CC(=O)OC
InChIInChI=1S/C16H25NO3/c1-3-4-10-20-11-9-17-13-15-8-6-5-7-14(15)12-16(18)19-2/h5-8,17H,3-4,9-13H2,1-2H3
InChIKeyZSFLVWXQFUWCMC-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[(2-methylsulfanylethylamino)methyl]phenyl]acetate
CID 115462010
methyl 2-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetate
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methyl 2-(2-butylphenyl)acetate
CID 141125258
methyl 2-[2-[[2-(carbamoylamino)ethylamino]methyl]phenyl]acetate
CID 83113830
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-[(3-butoxypropylamino)methyl]aniline
CID 83958629
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
CID 115462288
methyl 2-[2-[(prop-2-enylamino)methyl]phenyl]acetate
CID 115461356
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate (CID 115461715) is methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate is CCCCOCCNCc1ccccc1CC(=O)OC.
What is the InChIKey of methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate?
The InChIKey is ZSFLVWXQFUWCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-4-10-20-11-9-17-13-15-8-6-5-7-14(15)12-16(18)19-2/h5-8,17H,3-4,9-13H2,1-2H3.
What are the key properties of methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate?
methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate has a molecular weight of 279.38 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-butoxyethylamino)methyl]phenyl]acetate is sourced from PubChem (CID 115461715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).