5-(pyridin-2-ylmethoxy)naphthalen-1-amine

C16H14N2O — CID 82037861

IUPAC5-(pyridin-2-ylmethoxy)naphthalen-1-amine
SMILESNc1cccc2c(OCc3ccccn3)cccc12
InChIInChI=1S/C16H14N2O/c17-15-8-3-7-14-13(15)6-4-9-16(14)19-11-12-5-1-2-10-18-12/h1-10H,11,17H2
InChIKeyOPGWRNYISDMZDK-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.40
Rot. Bonds3

About 5-(pyridin-2-ylmethoxy)naphthalen-1-amine

5-(pyridin-2-ylmethoxy)naphthalen-1-amine (PubChem CID 82037861) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethoxy)naphthalen-1-amine.

Molecular Properties

Compound Name5-(pyridin-2-ylmethoxy)naphthalen-1-amine
PubChem CID82037861
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-(pyridin-2-ylmethoxy)naphthalen-1-amine
SMILESNc1cccc2c(OCc3ccccn3)cccc12
InChIInChI=1S/C16H14N2O/c17-15-8-3-7-14-13(15)6-4-9-16(14)19-11-12-5-1-2-10-18-12/h1-10H,11,17H2
InChIKeyOPGWRNYISDMZDK-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one
CID 18575800
2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 102131469
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline
CID 146469919
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
5-butoxynaphthalen-1-amine
CID 67167958
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethoxy)naphthalen-1-amine?
The IUPAC name of 5-(pyridin-2-ylmethoxy)naphthalen-1-amine (CID 82037861) is 5-(pyridin-2-ylmethoxy)naphthalen-1-amine.
What is the SMILES notation for 5-(pyridin-2-ylmethoxy)naphthalen-1-amine?
The canonical SMILES for 5-(pyridin-2-ylmethoxy)naphthalen-1-amine is Nc1cccc2c(OCc3ccccn3)cccc12.
What is the InChIKey of 5-(pyridin-2-ylmethoxy)naphthalen-1-amine?
The InChIKey is OPGWRNYISDMZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-15-8-3-7-14-13(15)6-4-9-16(14)19-11-12-5-1-2-10-18-12/h1-10H,11,17H2.
What are the key properties of 5-(pyridin-2-ylmethoxy)naphthalen-1-amine?
5-(pyridin-2-ylmethoxy)naphthalen-1-amine has a molecular weight of 250.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylmethoxy)naphthalen-1-amine is sourced from PubChem (CID 82037861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).