[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine

C15H18N2O2 — CID 28971099

IUPAC[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
SMILESCCCOc1ccc(Oc2cc(CN)ccn2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-9-18-13-3-5-14(6-4-13)19-15-10-12(11-16)7-8-17-15/h3-8,10H,2,9,11,16H2,1H3
InChIKeyXCQGMDAAUAXISV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.12
Rot. Bonds6

About [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine

[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine (PubChem CID 28971099) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
PubChem CID28971099
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
SMILESCCCOc1ccc(Oc2cc(CN)ccn2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-9-18-13-3-5-14(6-4-13)19-15-10-12(11-16)7-8-17-15/h3-8,10H,2,9,11,16H2,1H3
InChIKeyXCQGMDAAUAXISV-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine
CID 106485714
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094
N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 135305160
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182
2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine
CID 141407855
[2-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
(2-propoxy-4-pyridinyl)methanol
CID 61256143
2-(2-phenoxy-4-pyridinyl)ethanamine
CID 154870139
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80881018
6-(4-propoxyphenoxy)pyridin-2-amine
CID 80653556

Frequently Asked Questions

What is the IUPAC name of [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine (CID 28971099) is [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine is CCCOc1ccc(Oc2cc(CN)ccn2)cc1.
What is the InChIKey of [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine?
The InChIKey is XCQGMDAAUAXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-9-18-13-3-5-14(6-4-13)19-15-10-12(11-16)7-8-17-15/h3-8,10H,2,9,11,16H2,1H3.
What are the key properties of [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine?
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propoxyphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 28971099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).