N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine

C19H25NO4 — CID 46823346

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C)cc1CNCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C19H25NO4/c1-13-6-7-16(21-2)14(8-13)11-20-12-15-9-18(23-4)19(24-5)10-17(15)22-3/h6-10,20H,11-12H2,1-5H3
InChIKeyZQMDOMJUUNKYGO-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.32
Rot. Bonds8

About N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine

N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 46823346) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID46823346
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C)cc1CNCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C19H25NO4/c1-13-6-7-16(21-2)14(8-13)11-20-12-15-9-18(23-4)19(24-5)10-17(15)22-3/h6-10,20H,11-12H2,1-5H3
InChIKeyZQMDOMJUUNKYGO-UHFFFAOYSA-N
XLogP3.32
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43406541
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60663713
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43423933
1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 65024708
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632611
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
1-(2-methoxy-5-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903130
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 60762142
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine (CID 46823346) is N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine is COc1ccc(C)cc1CNCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is ZQMDOMJUUNKYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13-6-7-16(21-2)14(8-13)11-20-12-15-9-18(23-4)19(24-5)10-17(15)22-3/h6-10,20H,11-12H2,1-5H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 331.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 46823346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).