3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline

C17H21NO3 — CID 80752679

IUPAC3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
SMILESCOc1cccc(COc2cc(N)cc(OC(C)C)c2)c1
InChIInChI=1S/C17H21NO3/c1-12(2)21-17-9-14(18)8-16(10-17)20-11-13-5-4-6-15(7-13)19-3/h4-10,12H,11,18H2,1-3H3
InChIKeyLCBYKCWVUXUTPG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.64
Rot. Bonds6

About 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline

3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline (PubChem CID 80752679) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
PubChem CID80752679
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
SMILESCOc1cccc(COc2cc(N)cc(OC(C)C)c2)c1
InChIInChI=1S/C17H21NO3/c1-12(2)21-17-9-14(18)8-16(10-17)20-11-13-5-4-6-15(7-13)19-3/h4-10,12H,11,18H2,1-3H3
InChIKeyLCBYKCWVUXUTPG-UHFFFAOYSA-N
XLogP3.64
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.64
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

3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
CID 80747976
3-methoxy-5-phenylmethoxyaniline
CID 12658785
3-[(3-bromophenyl)methoxy]-5-methoxyaniline
CID 82828787
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
3-(3-ethylphenoxy)-5-propan-2-yloxyaniline
CID 80748281
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
6-[(3-methoxyphenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965542
6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 80868695
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline (CID 80752679) is 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline is COc1cccc(COc2cc(N)cc(OC(C)C)c2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline?
The InChIKey is LCBYKCWVUXUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)21-17-9-14(18)8-16(10-17)20-11-13-5-4-6-15(7-13)19-3/h4-10,12H,11,18H2,1-3H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline?
3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline has a molecular weight of 287.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline is sourced from PubChem (CID 80752679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).