methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate

C25H28N2O3 — CID 142934608

IUPACmethyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(Cc2ccc(CN)cc2)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C25H28N2O3/c1-29-24-5-3-4-22(14-24)18-27(16-20-8-6-19(15-26)7-9-20)17-21-10-12-23(13-11-21)25(28)30-2/h3-14H,15-18,26H2,1-2H3
InChIKeyGOWRDIIHCIFUHI-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.14
Rot. Bonds9

About methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate

methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate (PubChem CID 142934608) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate
PubChem CID142934608
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Namemethyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(Cc2ccc(CN)cc2)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C25H28N2O3/c1-29-24-5-3-4-22(14-24)18-27(16-20-8-6-19(15-26)7-9-20)17-21-10-12-23(13-11-21)25(28)30-2/h3-14H,15-18,26H2,1-2H3
InChIKeyGOWRDIIHCIFUHI-UHFFFAOYSA-N
XLogP4.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
CID 142934382
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
CID 43276120
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
methyl 4-[[bis(6-aminohexyl)amino]methyl]benzoate
CID 152933256
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate (CID 142934608) is methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate is COC(=O)c1ccc(CN(Cc2ccc(CN)cc2)Cc2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate?
The InChIKey is GOWRDIIHCIFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-29-24-5-3-4-22(14-24)18-27(16-20-8-6-19(15-26)7-9-20)17-21-10-12-23(13-11-21)25(28)30-2/h3-14H,15-18,26H2,1-2H3.
What are the key properties of methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate?
methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate has a molecular weight of 404.51 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate is sourced from PubChem (CID 142934608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).