N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H22N2O — CID 102880463

IUPACN-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3cncc(C)c3)cccc21
InChIInChI=1S/C18H22N2O/c1-13-9-14(11-20-10-13)12-21-18-8-4-5-15-16(18)6-3-7-17(15)19-2/h4-5,8-11,17,19H,3,6-7,12H2,1-2H3
InChIKeyVJMDHEUYPOZZRG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.57
Rot. Bonds4

About N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 102880463) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID102880463
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3cncc(C)c3)cccc21
InChIInChI=1S/C18H22N2O/c1-13-9-14(11-20-10-13)12-21-18-8-4-5-15-16(18)6-3-7-17(15)19-2/h4-5,8-11,17,19H,3,6-7,12H2,1-2H3
InChIKeyVJMDHEUYPOZZRG-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 102880463) is N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c(OCc3cncc(C)c3)cccc21.
What is the InChIKey of N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VJMDHEUYPOZZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-9-14(11-20-10-13)12-21-18-8-4-5-15-16(18)6-3-7-17(15)19-2/h4-5,8-11,17,19H,3,6-7,12H2,1-2H3.
What are the key properties of N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(5-methyl-3-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 102880463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).