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

C12H18N2O — CID 79248291

IUPAC1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(CN)CCC2
InChIInChI=1S/C12H18N2O/c1-15-10-5-4-9-3-2-6-12(14,8-13)11(9)7-10/h4-5,7H,2-3,6,8,13-14H2,1H3
InChIKeyAYWVBZVVOMPEDT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.14
Rot. Bonds2

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

1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79248291) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79248291
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(CN)CCC2
InChIInChI=1S/C12H18N2O/c1-15-10-5-4-9-3-2-6-12(14,8-13)11(9)7-10/h4-5,7H,2-3,6,8,13-14H2,1H3
InChIKeyAYWVBZVVOMPEDT-UHFFFAOYSA-N
XLogP1.14
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (CID 79248291) is 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc2c(c1)C(N)(CN)CCC2.
What is the InChIKey of 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is AYWVBZVVOMPEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-10-5-4-9-3-2-6-12(14,8-13)11(9)7-10/h4-5,7H,2-3,6,8,13-14H2,1H3.
What are the key properties of 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79248291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).