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

C17H21NO3 — CID 737219

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H21NO3/c1-19-15-7-4-13(5-8-15)11-18-12-14-6-9-16(20-2)17(10-14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKeyGIXFNISOHAAMBX-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.00
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 737219) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID737219
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H21NO3/c1-19-15-7-4-13(5-8-15)11-18-12-14-6-9-16(20-2)17(10-14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKeyGIXFNISOHAAMBX-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-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302
CID 11303039
CID 11303039
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 84754579
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332699
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724176
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 737219) is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is GIXFNISOHAAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-15-7-4-13(5-8-15)11-18-12-14-6-9-16(20-2)17(10-14)21-3/h4-10,18H,11-12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-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-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 737219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).