N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine

C17H21NO2 — CID 738609

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C17H21NO2/c1-13-4-6-14(7-5-13)11-18-12-15-8-9-16(19-2)10-17(15)20-3/h4-10,18H,11-12H2,1-3H3
InChIKeyXSJNEMYNZTWHFE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 738609) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID738609
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C17H21NO2/c1-13-4-6-14(7-5-13)11-18-12-15-8-9-16(19-2)10-17(15)20-3/h4-10,18H,11-12H2,1-3H3
InChIKeyXSJNEMYNZTWHFE-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine (CID 738609) is N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine is COc1ccc(CNCc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is XSJNEMYNZTWHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-4-6-14(7-5-13)11-18-12-15-8-9-16(19-2)10-17(15)20-3/h4-10,18H,11-12H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 738609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).