ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate

C16H23NO3 — CID 64669700

IUPACethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccccc1CNC1CC1
InChIInChI=1S/C16H23NO3/c1-3-14(16(18)19-4-2)20-15-8-6-5-7-12(15)11-17-13-9-10-13/h5-8,13-14,17H,3-4,9-11H2,1-2H3
InChIKeyKSHMGDNOROMWTR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.66
Rot. Bonds8

About ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate

ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate (PubChem CID 64669700) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
PubChem CID64669700
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccccc1CNC1CC1
InChIInChI=1S/C16H23NO3/c1-3-14(16(18)19-4-2)20-15-8-6-5-7-12(15)11-17-13-9-10-13/h5-8,13-14,17H,3-4,9-11H2,1-2H3
InChIKeyKSHMGDNOROMWTR-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
CID 43277371
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
CID 107696451
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
2-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]butanoic acid
CID 112610025
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
CID 83034609
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60883292
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
CID 9172668
4-[(2-butoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509937

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate?
The IUPAC name of ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate (CID 64669700) is ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate.
What is the SMILES notation for ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate?
The canonical SMILES for ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate is CCOC(=O)C(CC)Oc1ccccc1CNC1CC1.
What is the InChIKey of ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate?
The InChIKey is KSHMGDNOROMWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-14(16(18)19-4-2)20-15-8-6-5-7-12(15)11-17-13-9-10-13/h5-8,13-14,17H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate?
ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate has a molecular weight of 277.36 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate is sourced from PubChem (CID 64669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).