methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate

C18H21NO3 — CID 59219100

IUPACmethyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate
SMILESCCOc1ccc(-c2cccc(CC(=O)OC)c2)cc1CN
InChIInChI=1S/C18H21NO3/c1-3-22-17-8-7-15(11-16(17)12-19)14-6-4-5-13(9-14)10-18(20)21-2/h4-9,11H,3,10,12,19H2,1-2H3
InChIKeyHTAZIQRJIWWDPD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.93
Rot. Bonds6

About methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate

methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate (PubChem CID 59219100) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate
PubChem CID59219100
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate
SMILESCCOc1ccc(-c2cccc(CC(=O)OC)c2)cc1CN
InChIInChI=1S/C18H21NO3/c1-3-22-17-8-7-15(11-16(17)12-19)14-6-4-5-13(9-14)10-18(20)21-2/h4-9,11H,3,10,12,19H2,1-2H3
InChIKeyHTAZIQRJIWWDPD-UHFFFAOYSA-N
XLogP2.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate 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

formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
2-[3-[4-ethoxy-3-[[(4-ethylphenyl)methoxycarbonylamino]methyl]phenyl]phenyl]acetic acid
CID 59219150
3-[4-[3-(2-methoxy-2-oxoethyl)phenyl]phenyl]propanoic acid
CID 167840837
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
methyl 2-[3-[3-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]oxy-4-methoxyphenyl]phenyl]acetate
CID 59219009
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-(3-propylphenyl)acetate
CID 89333992
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate (CID 59219100) is methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate is CCOc1ccc(-c2cccc(CC(=O)OC)c2)cc1CN.
What is the InChIKey of methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate?
The InChIKey is HTAZIQRJIWWDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-17-8-7-15(11-16(17)12-19)14-6-4-5-13(9-14)10-18(20)21-2/h4-9,11H,3,10,12,19H2,1-2H3.
What are the key properties of methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate?
methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate has a molecular weight of 299.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate is sourced from PubChem (CID 59219100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).