2-[methoxy-bis(4-methoxyphenyl)methyl]aniline

C22H23NO3 — CID 54093223

IUPAC2-[methoxy-bis(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(C(OC)(c2ccc(OC)cc2)c2ccccc2N)cc1
InChIInChI=1S/C22H23NO3/c1-24-18-12-8-16(9-13-18)22(26-3,20-6-4-5-7-21(20)23)17-10-14-19(25-2)15-11-17/h4-15H,23H2,1-3H3
InChIKeyMVIDZTYODZBMHV-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.22
Rot. Bonds6

About 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline

2-[methoxy-bis(4-methoxyphenyl)methyl]aniline (PubChem CID 54093223) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[methoxy-bis(4-methoxyphenyl)methyl]aniline
PubChem CID54093223
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-[methoxy-bis(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(C(OC)(c2ccc(OC)cc2)c2ccccc2N)cc1
InChIInChI=1S/C22H23NO3/c1-24-18-12-8-16(9-13-18)22(26-3,20-6-4-5-7-21(20)23)17-10-14-19(25-2)15-11-17/h4-15H,23H2,1-3H3
InChIKeyMVIDZTYODZBMHV-UHFFFAOYSA-N
XLogP4.22
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)-methoxy-phenylmethyl]aniline
CID 102249306
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene
CID 21464766
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-methoxy-4-[nitroso(diphenyl)methyl]benzene
CID 88893098
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272
1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659024

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline (CID 54093223) is 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline is COc1ccc(C(OC)(c2ccc(OC)cc2)c2ccccc2N)cc1.
What is the InChIKey of 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline?
The InChIKey is MVIDZTYODZBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-24-18-12-8-16(9-13-18)22(26-3,20-6-4-5-7-21(20)23)17-10-14-19(25-2)15-11-17/h4-15H,23H2,1-3H3.
What are the key properties of 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline?
2-[methoxy-bis(4-methoxyphenyl)methyl]aniline has a molecular weight of 349.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy-bis(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 54093223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).