4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline

C17H21NO2 — CID 82354174

IUPAC4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
SMILESCOc1ccc(C(C)C)cc1COc1ccc(N)cc1
InChIInChI=1S/C17H21NO2/c1-12(2)13-4-9-17(19-3)14(10-13)11-20-16-7-5-15(18)6-8-16/h4-10,12H,11,18H2,1-3H3
InChIKeyLWOYOEJEALZUSG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.98
Rot. Bonds5

About 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline

4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline (PubChem CID 82354174) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
PubChem CID82354174
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
SMILESCOc1ccc(C(C)C)cc1COc1ccc(N)cc1
InChIInChI=1S/C17H21NO2/c1-12(2)13-4-9-17(19-3)14(10-13)11-20-16-7-5-15(18)6-8-16/h4-10,12H,11,18H2,1-3H3
InChIKeyLWOYOEJEALZUSG-UHFFFAOYSA-N
XLogP3.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324
1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 60860414
2-amino-3-[4-methoxy-3-[(4-propan-2-ylphenoxy)methyl]phenyl]propanoic acid
CID 170879741
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
4-bromo-2-[(4-butan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 107667675
1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
CID 82353795
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-methoxy-3-[(4-propan-2-ylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19566750
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
CID 78934350

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline?
The IUPAC name of 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline (CID 82354174) is 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline.
What is the SMILES notation for 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline?
The canonical SMILES for 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline is COc1ccc(C(C)C)cc1COc1ccc(N)cc1.
What is the InChIKey of 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline?
The InChIKey is LWOYOEJEALZUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)13-4-9-17(19-3)14(10-13)11-20-16-7-5-15(18)6-8-16/h4-10,12H,11,18H2,1-3H3.
What are the key properties of 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline?
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline has a molecular weight of 271.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline is sourced from PubChem (CID 82354174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).