3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline

C18H23NO2 — CID 81145541

IUPAC3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
SMILESCOc1cc(N)cc(COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C18H23NO2/c1-12(2)17-6-5-13(3)7-18(17)21-11-14-8-15(19)10-16(9-14)20-4/h5-10,12H,11,19H2,1-4H3
InChIKeyAEOURDVMJWXZLP-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.29
Rot. Bonds5

About 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline

3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline (PubChem CID 81145541) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
PubChem CID81145541
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
SMILESCOc1cc(N)cc(COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C18H23NO2/c1-12(2)17-6-5-13(3)7-18(17)21-11-14-8-15(19)10-16(9-14)20-4/h5-10,12H,11,19H2,1-4H3
InChIKeyAEOURDVMJWXZLP-UHFFFAOYSA-N
XLogP4.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.29
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-[(2-chloro-5-methylphenoxy)methyl]-5-methoxyaniline
CID 81150488
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol
CID 115969368
3-[(2-bromophenoxy)methyl]-5-methoxyaniline
CID 81150621
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46411942
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688609
4-chloro-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
CID 79582501

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline?
The IUPAC name of 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline (CID 81145541) is 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline.
What is the SMILES notation for 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline?
The canonical SMILES for 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline is COc1cc(N)cc(COc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline?
The InChIKey is AEOURDVMJWXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(2)17-6-5-13(3)7-18(17)21-11-14-8-15(19)10-16(9-14)20-4/h5-10,12H,11,19H2,1-4H3.
What are the key properties of 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline?
3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline is sourced from PubChem (CID 81145541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).