2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline

C18H23NO — CID 82134354

IUPAC2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline
SMILESCc1ccc(C)c(COc2ccc(C(C)C)cc2N)c1
InChIInChI=1S/C18H23NO/c1-12(2)15-7-8-18(17(19)10-15)20-11-16-9-13(3)5-6-14(16)4/h5-10,12H,11,19H2,1-4H3
InChIKeyXVHAXAUNNBUZTB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.59
Rot. Bonds4

About 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline

2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline (PubChem CID 82134354) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline
PubChem CID82134354
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline
SMILESCc1ccc(C)c(COc2ccc(C(C)C)cc2N)c1
InChIInChI=1S/C18H23NO/c1-12(2)15-7-8-18(17(19)10-15)20-11-16-9-13(3)5-6-14(16)4/h5-10,12H,11,19H2,1-4H3
InChIKeyXVHAXAUNNBUZTB-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
CID 82132130
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine
CID 2735321
4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
CID 103009356
5-propan-2-yl-2-prop-2-enoxyaniline
CID 54852954
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
2-(bromomethyl)-4-methyl-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63535406
5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline?
The IUPAC name of 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline (CID 82134354) is 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline is Cc1ccc(C)c(COc2ccc(C(C)C)cc2N)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline?
The InChIKey is XVHAXAUNNBUZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(2)15-7-8-18(17(19)10-15)20-11-16-9-13(3)5-6-14(16)4/h5-10,12H,11,19H2,1-4H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline?
2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline is sourced from PubChem (CID 82134354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).