1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine

C15H18N2O — CID 834002

IUPAC1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCCOc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-18-15-7-5-13(6-8-15)10-17-12-14-4-3-9-16-11-14/h3-9,11,17H,2,10,12H2,1H3
InChIKeyBPNSZEZLJVCJAW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.77
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine

1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 834002) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID834002
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCCOc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C15H18N2O/c1-2-18-15-7-5-13(6-8-15)10-17-12-14-4-3-9-16-11-14/h3-9,11,17H,2,10,12H2,1H3
InChIKeyBPNSZEZLJVCJAW-UHFFFAOYSA-N
XLogP2.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine (CID 834002) is 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine is CCOc1ccc(CNCc2cccnc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is BPNSZEZLJVCJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-18-15-7-5-13(6-8-15)10-17-12-14-4-3-9-16-11-14/h3-9,11,17H,2,10,12H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine?
1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 834002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).