2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine

C16H26N2O3 — CID 174641884

IUPAC2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine
SMILESC1COCCN1.CCNCc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO2.C4H9NO/c1-3-13-8-10-4-6-11(7-5-10)9(2)12(14)15;1-3-6-4-2-5-1/h4-7,9,13H,3,8H2,1-2H3,(H,14,15);5H,1-4H2
InChIKeyRMIUEBJUJOBQEL-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.59
Rot. Bonds5

About 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine

2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine (PubChem CID 174641884) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine
PubChem CID174641884
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine
SMILESC1COCCN1.CCNCc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C12H17NO2.C4H9NO/c1-3-13-8-10-4-6-11(7-5-10)9(2)12(14)15;1-3-6-4-2-5-1/h4-7,9,13H,3,8H2,1-2H3,(H,14,15);5H,1-4H2
InChIKeyRMIUEBJUJOBQEL-UHFFFAOYSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637
2-[4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]propanoic acid
CID 103264182
2-[4-[(oxolan-3-ylmethylamino)methyl]phenyl]propanoic acid
CID 103242573
2-[4-[(2-ethylbutylamino)methyl]phenyl]propanoic acid
CID 103267076
2-[4-[[(4-bromophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234963
2-[4-[(prop-2-ynylamino)methyl]phenyl]propanoic acid
CID 103230587
2-[4-[(3,3,3-trifluoropropylamino)methyl]phenyl]propanoic acid
CID 103250367
2-[4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenyl]propanoic acid
CID 106294598
2-[4-[(3-hydroxypropylamino)methyl]phenyl]propanoic acid
CID 103238223
2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103243740
2-(4-propylphenyl)propanoic acid
CID 14880971
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine?
The IUPAC name of 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine (CID 174641884) is 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine.
What is the SMILES notation for 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine?
The canonical SMILES for 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine is C1COCCN1.CCNCc1ccc(C(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine?
The InChIKey is RMIUEBJUJOBQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C4H9NO/c1-3-13-8-10-4-6-11(7-5-10)9(2)12(14)15;1-3-6-4-2-5-1/h4-7,9,13H,3,8H2,1-2H3,(H,14,15);5H,1-4H2.
What are the key properties of 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine?
2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine has a molecular weight of 294.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine is sourced from PubChem (CID 174641884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).