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

C16H20N2O2 — CID 63888254

IUPAC[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCCCOc1ccccc1OCc1ccnc(CN)c1
InChIInChI=1S/C16H20N2O2/c1-2-9-19-15-5-3-4-6-16(15)20-12-13-7-8-18-14(10-13)11-17/h3-8,10H,2,9,11-12,17H2,1H3
InChIKeyYTEBOWXZKMIIKL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.91
Rot. Bonds7

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

[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 63888254) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID63888254
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCCCOc1ccccc1OCc1ccnc(CN)c1
InChIInChI=1S/C16H20N2O2/c1-2-9-19-15-5-3-4-6-16(15)20-12-13-7-8-18-14(10-13)11-17/h3-8,10H,2,9,11-12,17H2,1H3
InChIKeyYTEBOWXZKMIIKL-UHFFFAOYSA-N
XLogP2.91
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(propoxymethyl)-2-pyridinyl]methanamine
CID 63887669
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
CID 115969538
[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 63887885
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
[4-(2-ethoxyphenoxy)-2-pyridinyl]methanamine
CID 62298325
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
[4-[(2-ethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62466463
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992

Frequently Asked Questions

What is the IUPAC name of [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine (CID 63888254) is [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine is CCCOc1ccccc1OCc1ccnc(CN)c1.
What is the InChIKey of [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is YTEBOWXZKMIIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-9-19-15-5-3-4-6-16(15)20-12-13-7-8-18-14(10-13)11-17/h3-8,10H,2,9,11-12,17H2,1H3.
What are the key properties of [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine?
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63888254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).