N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H20N2O — CID 65456675

IUPACN-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3ccncc3)cccc21
InChIInChI=1S/C17H20N2O/c1-18-16-6-2-5-15-14(16)4-3-7-17(15)20-12-13-8-10-19-11-9-13/h3-4,7-11,16,18H,2,5-6,12H2,1H3
InChIKeyMQRBTJHZVSPMIF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds4

About N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65456675) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65456675
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3ccncc3)cccc21
InChIInChI=1S/C17H20N2O/c1-18-16-6-2-5-15-14(16)4-3-7-17(15)20-12-13-8-10-19-11-9-13/h3-4,7-11,16,18H,2,5-6,12H2,1H3
InChIKeyMQRBTJHZVSPMIF-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65456675) is N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c(OCc3ccncc3)cccc21.
What is the InChIKey of N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MQRBTJHZVSPMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-16-6-2-5-15-14(16)4-3-7-17(15)20-12-13-8-10-19-11-9-13/h3-4,7-11,16,18H,2,5-6,12H2,1H3.
What are the key properties of N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 268.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(pyridin-4-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65456675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).