methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate

C16H19NO3 — CID 115461693

IUPACmethyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNCCc1ccco1
InChIInChI=1S/C16H19NO3/c1-19-16(18)11-13-5-2-3-6-14(13)12-17-9-8-15-7-4-10-20-15/h2-7,10,17H,8-9,11-12H2,1H3
InChIKeyHAHBKBVXPCXGGL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.33
Rot. Bonds7

About methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate

methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate (PubChem CID 115461693) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
PubChem CID115461693
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNCCc1ccco1
InChIInChI=1S/C16H19NO3/c1-19-16(18)11-13-5-2-3-6-14(13)12-17-9-8-15-7-4-10-20-15/h2-7,10,17H,8-9,11-12H2,1H3
InChIKeyHAHBKBVXPCXGGL-UHFFFAOYSA-N
XLogP2.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.33
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-[5-[[2-(furan-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82894780
methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
CID 115461702
methyl 2-[2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]acetate
CID 106400053
methyl 2-[2-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]phenyl]acetate
CID 106036894
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
CID 61263621
methyl 3-bromo-4-[[2-(furan-2-yl)ethylamino]methyl]benzoate
CID 102766549
methyl 2-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetate
CID 103005690
methyl 2-[2-[(2-methylsulfanylethylamino)methyl]phenyl]acetate
CID 115462010
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
methyl 2-[2-[[2-(carbamoylamino)ethylamino]methyl]phenyl]acetate
CID 83113830
methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
CID 115462288
methyl 2-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetate
CID 115518116

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate (CID 115461693) is methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNCCc1ccco1.
What is the InChIKey of methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate?
The InChIKey is HAHBKBVXPCXGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-16(18)11-13-5-2-3-6-14(13)12-17-9-8-15-7-4-10-20-15/h2-7,10,17H,8-9,11-12H2,1H3.
What are the key properties of methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate?
methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate has a molecular weight of 273.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate is sourced from PubChem (CID 115461693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).