N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine

C17H21NO3 — CID 738572

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H21NO3/c1-19-15-6-4-5-13(9-15)11-18-12-14-7-8-16(20-2)10-17(14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKeyPRKZXYUGWVSZGE-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.00
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine (PubChem CID 738572) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
PubChem CID738572
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H21NO3/c1-19-15-6-4-5-13(9-15)11-18-12-14-7-8-16(20-2)10-17(14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKeyPRKZXYUGWVSZGE-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 119126928
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine (CID 738572) is N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCc2ccc(OC)cc2OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The InChIKey is PRKZXYUGWVSZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-15-6-4-5-13(9-15)11-18-12-14-7-8-16(20-2)10-17(14)21-3/h4-10,18H,11-12H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 738572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).