4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline

C21H21NO3 — CID 66880803

IUPAC4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline
SMILESCOc1cccc(-c2cc(OC)c(OCc3ccccc3)cc2N)c1
InChIInChI=1S/C21H21NO3/c1-23-17-10-6-9-16(11-17)18-12-20(24-2)21(13-19(18)22)25-14-15-7-4-3-5-8-15/h3-13H,14,22H2,1-2H3
InChIKeyXHPFQFZCPIZSHY-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.53
Rot. Bonds6

About 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline

4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline (PubChem CID 66880803) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline.

Molecular Properties

Compound Name4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline
PubChem CID66880803
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline
SMILESCOc1cccc(-c2cc(OC)c(OCc3ccccc3)cc2N)c1
InChIInChI=1S/C21H21NO3/c1-23-17-10-6-9-16(11-17)18-12-20(24-2)21(13-19(18)22)25-14-15-7-4-3-5-8-15/h3-13H,14,22H2,1-2H3
InChIKeyXHPFQFZCPIZSHY-UHFFFAOYSA-N
XLogP4.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
CID 23538933
3-methoxy-4-phenylmethoxyaniline
CID 27226
5-methoxy-2-(3-phenylmethoxyphenoxy)aniline
CID 166611417
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
4-methoxy-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 172879583
5-fluoro-2-methyl-4-(3-phenylmethoxyphenyl)aniline
CID 171916620
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
5-(5-chloro-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8813218
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline?
The IUPAC name of 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline (CID 66880803) is 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline.
What is the SMILES notation for 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline?
The canonical SMILES for 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline is COc1cccc(-c2cc(OC)c(OCc3ccccc3)cc2N)c1.
What is the InChIKey of 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline?
The InChIKey is XHPFQFZCPIZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-23-17-10-6-9-16(11-17)18-12-20(24-2)21(13-19(18)22)25-14-15-7-4-3-5-8-15/h3-13H,14,22H2,1-2H3.
What are the key properties of 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline?
4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline has a molecular weight of 335.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline is sourced from PubChem (CID 66880803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).