[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine

C15H18N2O2 — CID 118905552

IUPAC[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine
SMILESCOc1ccc(OCCc2ccccc2)c(CN)n1
InChIInChI=1S/C15H18N2O2/c1-18-15-8-7-14(13(11-16)17-15)19-10-9-12-5-3-2-4-6-12/h2-8H,9-11,16H2,1H3
InChIKeyYCOJCZRVVIVRDW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds6

About [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine

[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine (PubChem CID 118905552) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine
PubChem CID118905552
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine
SMILESCOc1ccc(OCCc2ccccc2)c(CN)n1
InChIInChI=1S/C15H18N2O2/c1-18-15-8-7-14(13(11-16)17-15)19-10-9-12-5-3-2-4-6-12/h2-8H,9-11,16H2,1H3
InChIKeyYCOJCZRVVIVRDW-UHFFFAOYSA-N
XLogP2.17
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine (CID 118905552) is [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine is COc1ccc(OCCc2ccccc2)c(CN)n1.
What is the InChIKey of [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine?
The InChIKey is YCOJCZRVVIVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-15-8-7-14(13(11-16)17-15)19-10-9-12-5-3-2-4-6-12/h2-8H,9-11,16H2,1H3.
What are the key properties of [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine?
[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118905552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).