3-methoxy-5-phenylmethoxyaniline

C14H15NO2 — CID 12658785

IUPAC3-methoxy-5-phenylmethoxyaniline
SMILESCOc1cc(N)cc(OCc2ccccc2)c1
InChIInChI=1S/C14H15NO2/c1-16-13-7-12(15)8-14(9-13)17-10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3
InChIKeyONJHBQZGFOKBLW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.86
Rot. Bonds4

About 3-methoxy-5-phenylmethoxyaniline

3-methoxy-5-phenylmethoxyaniline (PubChem CID 12658785) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methoxy-5-phenylmethoxyaniline.

Molecular Properties

Compound Name3-methoxy-5-phenylmethoxyaniline
PubChem CID12658785
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-methoxy-5-phenylmethoxyaniline
SMILESCOc1cc(N)cc(OCc2ccccc2)c1
InChIInChI=1S/C14H15NO2/c1-16-13-7-12(15)8-14(9-13)17-10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3
InChIKeyONJHBQZGFOKBLW-UHFFFAOYSA-N
XLogP2.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
3-[(3-bromophenyl)methoxy]-5-methoxyaniline
CID 82828787
(3-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 102594232
3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
CID 80752679
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
4-phenylmethoxyaniline
CID 159966727
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-phenylmethoxyaniline?
The IUPAC name of 3-methoxy-5-phenylmethoxyaniline (CID 12658785) is 3-methoxy-5-phenylmethoxyaniline.
What is the SMILES notation for 3-methoxy-5-phenylmethoxyaniline?
The canonical SMILES for 3-methoxy-5-phenylmethoxyaniline is COc1cc(N)cc(OCc2ccccc2)c1.
What is the InChIKey of 3-methoxy-5-phenylmethoxyaniline?
The InChIKey is ONJHBQZGFOKBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-16-13-7-12(15)8-14(9-13)17-10-11-5-3-2-4-6-11/h2-9H,10,15H2,1H3.
What are the key properties of 3-methoxy-5-phenylmethoxyaniline?
3-methoxy-5-phenylmethoxyaniline has a molecular weight of 229.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-phenylmethoxyaniline is sourced from PubChem (CID 12658785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).