methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate

C24H26N2O2 — CID 142934382

IUPACmethyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C24H26N2O2/c1-28-24(27)23-13-11-22(12-14-23)18-26(16-20-5-3-2-4-6-20)17-21-9-7-19(15-25)8-10-21/h2-14H,15-18,25H2,1H3
InChIKeyJGZSBLXYQKSZRB-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.13
Rot. Bonds8

About methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate

methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate (PubChem CID 142934382) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
PubChem CID142934382
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Namemethyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C24H26N2O2/c1-28-24(27)23-13-11-22(12-14-23)18-26(16-20-5-3-2-4-6-20)17-21-9-7-19(15-25)8-10-21/h2-14H,15-18,25H2,1H3
InChIKeyJGZSBLXYQKSZRB-UHFFFAOYSA-N
XLogP4.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate
CID 142934608
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
methyl 4-[[bis(6-aminohexyl)amino]methyl]benzoate
CID 152933256
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907
methyl 3-amino-4-[[benzyl(ethyl)amino]methyl]benzoate
CID 82165879

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate (CID 142934382) is methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate is COC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(CN)cc2)cc1.
What is the InChIKey of methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate?
The InChIKey is JGZSBLXYQKSZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-28-24(27)23-13-11-22(12-14-23)18-26(16-20-5-3-2-4-6-20)17-21-9-7-19(15-25)8-10-21/h2-14H,15-18,25H2,1H3.
What are the key properties of methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate?
methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate has a molecular weight of 374.48 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate is sourced from PubChem (CID 142934382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).