ethyl 2-[(3-propoxyphenyl)methylamino]acetate

C14H21NO3 — CID 54901935

IUPACethyl 2-[(3-propoxyphenyl)methylamino]acetate
SMILESCCCOc1cccc(CNCC(=O)OCC)c1
InChIInChI=1S/C14H21NO3/c1-3-8-18-13-7-5-6-12(9-13)10-15-11-14(16)17-4-2/h5-7,9,15H,3-4,8,10-11H2,1-2H3
InChIKeyPNWMQRQXBBEOIC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.13
Rot. Bonds8

About ethyl 2-[(3-propoxyphenyl)methylamino]acetate

ethyl 2-[(3-propoxyphenyl)methylamino]acetate (PubChem CID 54901935) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[(3-propoxyphenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-propoxyphenyl)methylamino]acetate
PubChem CID54901935
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[(3-propoxyphenyl)methylamino]acetate
SMILESCCCOc1cccc(CNCC(=O)OCC)c1
InChIInChI=1S/C14H21NO3/c1-3-8-18-13-7-5-6-12(9-13)10-15-11-14(16)17-4-2/h5-7,9,15H,3-4,8,10-11H2,1-2H3
InChIKeyPNWMQRQXBBEOIC-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
2-[(3-propoxyphenyl)methylamino]ethyl propanoate
CID 82532842
ethyl 2-[(3-aminophenyl)methylamino]acetate
CID 22569795
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
CID 54893746
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propoxyphenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(3-propoxyphenyl)methylamino]acetate (CID 54901935) is ethyl 2-[(3-propoxyphenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-propoxyphenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(3-propoxyphenyl)methylamino]acetate is CCCOc1cccc(CNCC(=O)OCC)c1.
What is the InChIKey of ethyl 2-[(3-propoxyphenyl)methylamino]acetate?
The InChIKey is PNWMQRQXBBEOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-8-18-13-7-5-6-12(9-13)10-15-11-14(16)17-4-2/h5-7,9,15H,3-4,8,10-11H2,1-2H3.
What are the key properties of ethyl 2-[(3-propoxyphenyl)methylamino]acetate?
ethyl 2-[(3-propoxyphenyl)methylamino]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propoxyphenyl)methylamino]acetate is sourced from PubChem (CID 54901935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).