5-propan-2-yl-2-prop-2-enoxyaniline

C12H17NO — CID 54852954

IUPAC5-propan-2-yl-2-prop-2-enoxyaniline
SMILESC=CCOc1ccc(C(C)C)cc1N
InChIInChI=1S/C12H17NO/c1-4-7-14-12-6-5-10(9(2)3)8-11(12)13/h4-6,8-9H,1,7,13H2,2-3H3
InChIKeyAKNHKJNHXWUTBQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.96
Rot. Bonds4

About 5-propan-2-yl-2-prop-2-enoxyaniline

5-propan-2-yl-2-prop-2-enoxyaniline (PubChem CID 54852954) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-propan-2-yl-2-prop-2-enoxyaniline.

Molecular Properties

Compound Name5-propan-2-yl-2-prop-2-enoxyaniline
PubChem CID54852954
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-propan-2-yl-2-prop-2-enoxyaniline
SMILESC=CCOc1ccc(C(C)C)cc1N
InChIInChI=1S/C12H17NO/c1-4-7-14-12-6-5-10(9(2)3)8-11(12)13/h4-6,8-9H,1,7,13H2,2-3H3
InChIKeyAKNHKJNHXWUTBQ-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethoxy)-5-propan-2-ylaniline
CID 54853034
2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
CID 82132130
2-[(2,5-dimethylphenyl)methoxy]-5-propan-2-ylaniline
CID 82134354
5-(difluoromethyl)-2-ethoxyaniline
CID 130524156
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
CID 82064223
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
5-phenoxy-2-prop-2-enoxyaniline
CID 10847689
5-bromo-2-[(4-propan-2-ylphenyl)methoxy]aniline
CID 65430532
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline
CID 82152376
5-butan-2-yl-2-(2-methylprop-2-enoxy)aniline
CID 54853119
(1S)-1-(5-chloro-2-prop-2-enoxyphenyl)ethanamine
CID 78933106
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-prop-2-enoxyaniline?
The IUPAC name of 5-propan-2-yl-2-prop-2-enoxyaniline (CID 54852954) is 5-propan-2-yl-2-prop-2-enoxyaniline.
What is the SMILES notation for 5-propan-2-yl-2-prop-2-enoxyaniline?
The canonical SMILES for 5-propan-2-yl-2-prop-2-enoxyaniline is C=CCOc1ccc(C(C)C)cc1N.
What is the InChIKey of 5-propan-2-yl-2-prop-2-enoxyaniline?
The InChIKey is AKNHKJNHXWUTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-7-14-12-6-5-10(9(2)3)8-11(12)13/h4-6,8-9H,1,7,13H2,2-3H3.
What are the key properties of 5-propan-2-yl-2-prop-2-enoxyaniline?
5-propan-2-yl-2-prop-2-enoxyaniline has a molecular weight of 191.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-prop-2-enoxyaniline is sourced from PubChem (CID 54852954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).