propyl 3-amino-3-(4-ethylphenyl)propanoate

C14H21NO2 — CID 23109989

IUPACpropyl 3-amino-3-(4-ethylphenyl)propanoate
SMILESCCCOC(=O)CC(N)c1ccc(CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-9-17-14(16)10-13(15)12-7-5-11(4-2)6-8-12/h5-8,13H,3-4,9-10,15H2,1-2H3
InChIKeyKRROAXISIVRZHP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.59
Rot. Bonds6

About propyl 3-amino-3-(4-ethylphenyl)propanoate

propyl 3-amino-3-(4-ethylphenyl)propanoate (PubChem CID 23109989) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is propyl 3-amino-3-(4-ethylphenyl)propanoate.

Molecular Properties

Compound Namepropyl 3-amino-3-(4-ethylphenyl)propanoate
PubChem CID23109989
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namepropyl 3-amino-3-(4-ethylphenyl)propanoate
SMILESCCCOC(=O)CC(N)c1ccc(CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-9-17-14(16)10-13(15)12-7-5-11(4-2)6-8-12/h5-8,13H,3-4,9-10,15H2,1-2H3
InChIKeyKRROAXISIVRZHP-UHFFFAOYSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-amino-3-(4-cyanophenyl)propanoate
CID 23109929
propyl 3-amino-3-(3,4-difluorophenyl)propanoate
CID 121412436
ethyl 3-amino-3-(4-butoxyphenyl)propanoate
CID 4715172
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
(1R)-1-(4-ethylphenyl)-3-methylbut-3-en-1-amine
CID 171211237
propyl 2-(4-ethylphenoxy)acetate
CID 78907907
pentyl 3-amino-3-phenylpropanoate;hydrochloride
CID 3071047
ethyl 3-amino-3-(4-aminophenyl)propanoate
CID 90765917
methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate
CID 79013708
1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43183735
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060

Frequently Asked Questions

What is the IUPAC name of propyl 3-amino-3-(4-ethylphenyl)propanoate?
The IUPAC name of propyl 3-amino-3-(4-ethylphenyl)propanoate (CID 23109989) is propyl 3-amino-3-(4-ethylphenyl)propanoate.
What is the SMILES notation for propyl 3-amino-3-(4-ethylphenyl)propanoate?
The canonical SMILES for propyl 3-amino-3-(4-ethylphenyl)propanoate is CCCOC(=O)CC(N)c1ccc(CC)cc1.
What is the InChIKey of propyl 3-amino-3-(4-ethylphenyl)propanoate?
The InChIKey is KRROAXISIVRZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-17-14(16)10-13(15)12-7-5-11(4-2)6-8-12/h5-8,13H,3-4,9-10,15H2,1-2H3.
What are the key properties of propyl 3-amino-3-(4-ethylphenyl)propanoate?
propyl 3-amino-3-(4-ethylphenyl)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-amino-3-(4-ethylphenyl)propanoate is sourced from PubChem (CID 23109989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).