methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride

C13H14ClNO2 — CID 67187321

IUPACmethyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(CN)c2ccccc12.Cl
InChIInChI=1S/C13H13NO2.ClH/c1-16-13(15)12-7-6-9(8-14)10-4-2-3-5-11(10)12;/h2-7H,8,14H2,1H3;1H
InChIKeyMBZNAWUXDXANJQ-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.51
Rot. Bonds2

About methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride

methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride (PubChem CID 67187321) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
PubChem CID67187321
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Namemethyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(CN)c2ccccc12.Cl
InChIInChI=1S/C13H13NO2.ClH/c1-16-13(15)12-7-6-9(8-14)10-4-2-3-5-11(10)12;/h2-7H,8,14H2,1H3;1H
InChIKeyMBZNAWUXDXANJQ-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 4-(azidomethyl)naphthalene-1-carboxylate
CID 20763045
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 4-[[1-[2-[(4-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-1-carboxylate
CID 177253515
methyl 2-(aminomethyl)-5-bromobenzoate;hydrochloride
CID 86280419
methyl 4-formylnaphthalene-1-carboxylate
CID 10330854
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
CID 166000497
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
CID 121333803
methyl 2-(aminomethyl)-5-bromobenzoate
CID 44828923

Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride?
The IUPAC name of methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride (CID 67187321) is methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride is COC(=O)c1ccc(CN)c2ccccc12.Cl.
What is the InChIKey of methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride?
The InChIKey is MBZNAWUXDXANJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.ClH/c1-16-13(15)12-7-6-9(8-14)10-4-2-3-5-11(10)12;/h2-7H,8,14H2,1H3;1H.
What are the key properties of methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride?
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride is sourced from PubChem (CID 67187321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).