2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine

C13H20N2O — CID 10421024

IUPAC2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1cc(C)cc2c1CCC(N)(CN)C2
InChIInChI=1S/C13H20N2O/c1-9-5-10-7-13(15,8-14)4-3-11(10)12(6-9)16-2/h5-6H,3-4,7-8,14-15H2,1-2H3
InChIKeyJGDYNCQBUUFNAG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.15
Rot. Bonds2

About 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 10421024) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID10421024
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1cc(C)cc2c1CCC(N)(CN)C2
InChIInChI=1S/C13H20N2O/c1-9-5-10-7-13(15,8-14)4-3-11(10)12(6-9)16-2/h5-6H,3-4,7-8,14-15H2,1-2H3
InChIKeyJGDYNCQBUUFNAG-UHFFFAOYSA-N
XLogP1.15
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine (CID 10421024) is 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine is COc1cc(C)cc2c1CCC(N)(CN)C2.
What is the InChIKey of 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is JGDYNCQBUUFNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-10-7-13(15,8-14)4-3-11(10)12(6-9)16-2/h5-6H,3-4,7-8,14-15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 10421024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).