4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine

C17H20N2 — CID 115419894

IUPAC4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(N)(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C17H20N2/c1-13-9-10-17(18,12-14-6-4-5-11-19-14)16-8-3-2-7-15(13)16/h2-8,11,13H,9-10,12,18H2,1H3
InChIKeyFWWLVEAQLFOGRR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.38
Rot. Bonds2

About 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine

4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115419894) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115419894
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(N)(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C17H20N2/c1-13-9-10-17(18,12-14-6-4-5-11-19-14)16-8-3-2-7-15(13)16/h2-8,11,13H,9-10,12,18H2,1H3
InChIKeyFWWLVEAQLFOGRR-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyridin-2-ylmethyl)cyclopropan-1-amine
CID 59327087
5-fluoro-1-(pyridin-2-ylmethyl)-2,3-dihydroinden-1-amine
CID 116532007
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
1-(3-ethylcyclohexyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419750
2-methyl-4-(pyridin-2-ylmethyl)piperidin-4-ol
CID 112709112
1'-methylspiro[1,4-dihydroimidazole-5,4'-2,3-dihydro-1H-naphthalene]-2-amine
CID 115420947
1-(pyridin-2-ylmethyl)cyclobutan-1-ol
CID 79081302
3-(pyridin-2-ylmethyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171959354
(1S)-1-(1-methylcyclopropyl)-2-pyridin-2-ylethanamine
CID 135132633
1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 106644704
2-(1-adamantylmethyl)pyridine
CID 584969
ethane;pyridin-2-ylmethanamine
CID 90791011

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 115419894) is 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine is CC1CCC(N)(Cc2ccccn2)c2ccccc21.
What is the InChIKey of 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is FWWLVEAQLFOGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-9-10-17(18,12-14-6-4-5-11-19-14)16-8-3-2-7-15(13)16/h2-8,11,13H,9-10,12,18H2,1H3.
What are the key properties of 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 252.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115419894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).