methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate

C20H19NO2 — CID 11573081

IUPACmethyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19NO2/c1-23-20(22)18-10-6-15(7-11-18)13-21-14-16-8-9-17-4-2-3-5-19(17)12-16/h2-12,21H,13-14H2,1H3
InChIKeyZUBCMHZNERVFJI-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.92
Rot. Bonds5

About methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate

methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate (PubChem CID 11573081) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
PubChem CID11573081
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19NO2/c1-23-20(22)18-10-6-15(7-11-18)13-21-14-16-8-9-17-4-2-3-5-19(17)12-16/h2-12,21H,13-14H2,1H3
InChIKeyZUBCMHZNERVFJI-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
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methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
methyl 4-[[(3-cyanophenyl)methylamino]methyl]benzoate
CID 60685712
methyl 4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzoate
CID 62537765
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
methyl 4-[[2-(2-hydroxyphenyl)ethylamino]methyl]benzoate
CID 11233903
naphthalen-2-yl 4-(acetamidomethyl)benzoate
CID 43030693
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate (CID 11573081) is methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate is COC(=O)c1ccc(CNCc2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate?
The InChIKey is ZUBCMHZNERVFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-20(22)18-10-6-15(7-11-18)13-21-14-16-8-9-17-4-2-3-5-19(17)12-16/h2-12,21H,13-14H2,1H3.
What are the key properties of methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate?
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate has a molecular weight of 305.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate is sourced from PubChem (CID 11573081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).