N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine

C17H22N2O2 — CID 63984828

IUPACN-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Oc2cccc(COC)c2)ccn1
InChIInChI=1S/C17H22N2O2/c1-3-8-18-12-15-11-17(7-9-19-15)21-16-6-4-5-14(10-16)13-20-2/h4-7,9-11,18H,3,8,12-13H2,1-2H3
InChIKeyLVDWSPIUPQSEHQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.52
Rot. Bonds8

About N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 63984828) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID63984828
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Oc2cccc(COC)c2)ccn1
InChIInChI=1S/C17H22N2O2/c1-3-8-18-12-15-11-17(7-9-19-15)21-16-6-4-5-14(10-16)13-20-2/h4-7,9-11,18H,3,8,12-13H2,1-2H3
InChIKeyLVDWSPIUPQSEHQ-UHFFFAOYSA-N
XLogP3.52
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62297574
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65125344
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[3-(3-bromophenoxy)phenyl]methyl]propan-1-amine
CID 63943681
N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 63942115
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
CID 107542682
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387
N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 62288971
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine (CID 63984828) is N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Oc2cccc(COC)c2)ccn1.
What is the InChIKey of N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is LVDWSPIUPQSEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-8-18-12-15-11-17(7-9-19-15)21-16-6-4-5-14(10-16)13-20-2/h4-7,9-11,18H,3,8,12-13H2,1-2H3.
What are the key properties of N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 63984828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).