2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline

C18H24N2O2 — CID 84754579

IUPAC2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline
SMILESCOc1ccc(CNCc2ccc(N(C)C)c(OC)c2)cc1
InChIInChI=1S/C18H24N2O2/c1-20(2)17-10-7-15(11-18(17)22-4)13-19-12-14-5-8-16(21-3)9-6-14/h5-11,19H,12-13H2,1-4H3
InChIKeyLKOBAIPMCCRGJP-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.06
Rot. Bonds7

About 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline

2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline (PubChem CID 84754579) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline
PubChem CID84754579
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline
SMILESCOc1ccc(CNCc2ccc(N(C)C)c(OC)c2)cc1
InChIInChI=1S/C18H24N2O2/c1-20(2)17-10-7-15(11-18(17)22-4)13-19-12-14-5-8-16(21-3)9-6-14/h5-11,19H,12-13H2,1-4H3
InChIKeyLKOBAIPMCCRGJP-UHFFFAOYSA-N
XLogP3.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
2-methoxy-N,N-dimethyl-4-(methylaminomethyl)aniline
CID 84754595
2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 84754564
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 30610505
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
4-[[2-(4-methoxyphenyl)ethylamino]methyl]-N,N-dimethyl-2-nitroaniline
CID 4789406
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-[[[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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline (CID 84754579) is 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline is COc1ccc(CNCc2ccc(N(C)C)c(OC)c2)cc1.
What is the InChIKey of 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is LKOBAIPMCCRGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20(2)17-10-7-15(11-18(17)22-4)13-19-12-14-5-8-16(21-3)9-6-14/h5-11,19H,12-13H2,1-4H3.
What are the key properties of 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline?
2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 300.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 84754579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).