methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride

C15H18ClNO2 — CID 54593054

IUPACmethyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride
SMILESCOC(=O)C(CN)Cc1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H17NO2.ClH/c1-18-15(17)14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11;/h2-8,14H,9-10,16H2,1H3;1H
InChIKeyBTNJEMRYVMELFZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.55
Rot. Bonds4

About methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride

methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride (PubChem CID 54593054) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride
PubChem CID54593054
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Namemethyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride
SMILESCOC(=O)C(CN)Cc1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H17NO2.ClH/c1-18-15(17)14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11;/h2-8,14H,9-10,16H2,1H3;1H
InChIKeyBTNJEMRYVMELFZ-UHFFFAOYSA-N
XLogP2.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride?
The IUPAC name of methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride (CID 54593054) is methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride is COC(=O)C(CN)Cc1ccc2ccccc2c1.Cl.
What is the InChIKey of methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride?
The InChIKey is BTNJEMRYVMELFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.ClH/c1-18-15(17)14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11;/h2-8,14H,9-10,16H2,1H3;1H.
What are the key properties of methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride?
methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate;hydrochloride is sourced from PubChem (CID 54593054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).