N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine

C17H21NO3 — CID 775262

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H21NO3/c1-19-15-6-4-13(5-7-15)11-18-12-14-8-16(20-2)10-17(9-14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKeyPUUIMGFMLAOYFH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.00
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 775262) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID775262
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H21NO3/c1-19-15-6-4-13(5-7-15)11-18-12-14-8-16(20-2)10-17(9-14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKeyPUUIMGFMLAOYFH-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

Analyze N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane
CID 142156026
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 29224259
1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 792126
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 775262) is N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is PUUIMGFMLAOYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-15-6-4-13(5-7-15)11-18-12-14-8-16(20-2)10-17(9-14)21-3/h4-10,18H,11-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(3,5-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-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 775262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).