1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine

C22H24N2O2 — CID 2997399

IUPAC1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCOc1cc(CNCc2cccnc2)ccc1OCc1ccccc1C
InChIInChI=1S/C22H24N2O2/c1-17-6-3-4-8-20(17)16-26-21-10-9-18(12-22(21)25-2)13-24-15-19-7-5-11-23-14-19/h3-12,14,24H,13,15-16H2,1-2H3
InChIKeyKOSUNHNBXVNULS-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.27
Rot. Bonds8

About 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine

1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 2997399) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID2997399
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCOc1cc(CNCc2cccnc2)ccc1OCc1ccccc1C
InChIInChI=1S/C22H24N2O2/c1-17-6-3-4-8-20(17)16-26-21-10-9-18(12-22(21)25-2)13-24-15-19-7-5-11-23-14-19/h3-12,14,24H,13,15-16H2,1-2H3
InChIKeyKOSUNHNBXVNULS-UHFFFAOYSA-N
XLogP4.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724176
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
1-(1,3-benzodioxol-5-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719538
2-[2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294316
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
4-[[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17294229
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210568
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 54849396
N',N'-diethyl-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4719869
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162172

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine (CID 2997399) is 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine is COc1cc(CNCc2cccnc2)ccc1OCc1ccccc1C.
What is the InChIKey of 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is KOSUNHNBXVNULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-6-3-4-8-20(17)16-26-21-10-9-18(12-22(21)25-2)13-24-15-19-7-5-11-23-14-19/h3-12,14,24H,13,15-16H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine?
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 348.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 2997399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).