[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride

C14H17ClN2O2 — CID 42892412

IUPAC[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
SMILESCOc1cc(CN)ccc1OCc1cccnc1.Cl
InChIInChI=1S/C14H16N2O2.ClH/c1-17-14-7-11(8-15)4-5-13(14)18-10-12-3-2-6-16-9-12;/h2-7,9H,8,10,15H2,1H3;1H
InChIKeyGDGKIYYWWDJFNI-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.55
Rot. Bonds5

About [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride

[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride (PubChem CID 42892412) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
PubChem CID42892412
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
SMILESCOc1cc(CN)ccc1OCc1cccnc1.Cl
InChIInChI=1S/C14H16N2O2.ClH/c1-17-14-7-11(8-15)4-5-13(14)18-10-12-3-2-6-16-9-12;/h2-7,9H,8,10,15H2,1H3;1H
InChIKeyGDGKIYYWWDJFNI-UHFFFAOYSA-N
XLogP2.55
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 69143790
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride (CID 42892412) is [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride is COc1cc(CN)ccc1OCc1cccnc1.Cl.
What is the InChIKey of [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is GDGKIYYWWDJFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.ClH/c1-17-14-7-11(8-15)4-5-13(14)18-10-12-3-2-6-16-9-12;/h2-7,9H,8,10,15H2,1H3;1H.
What are the key properties of [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride?
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 42892412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).