4-(1-ethoxypropan-2-yloxy)-2-methylaniline

C12H19NO2 — CID 103486534

IUPAC4-(1-ethoxypropan-2-yloxy)-2-methylaniline
SMILESCCOCC(C)Oc1ccc(N)c(C)c1
InChIInChI=1S/C12H19NO2/c1-4-14-8-10(3)15-11-5-6-12(13)9(2)7-11/h5-7,10H,4,8,13H2,1-3H3
InChIKeyBYQPBQQKMZFNKO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.38
Rot. Bonds5

About 4-(1-ethoxypropan-2-yloxy)-2-methylaniline

4-(1-ethoxypropan-2-yloxy)-2-methylaniline (PubChem CID 103486534) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-2-methylaniline.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-2-methylaniline
PubChem CID103486534
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(1-ethoxypropan-2-yloxy)-2-methylaniline
SMILESCCOCC(C)Oc1ccc(N)c(C)c1
InChIInChI=1S/C12H19NO2/c1-4-14-8-10(3)15-11-5-6-12(13)9(2)7-11/h5-7,10H,4,8,13H2,1-3H3
InChIKeyBYQPBQQKMZFNKO-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.38
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

2-amino-5-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103489388
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
2-amino-4-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103489403
4-[4-(azepan-1-yl)butan-2-yloxy]-2-methylaniline
CID 82037200
4-(1-ethoxypropan-2-yloxy)-2-fluoropyridine
CID 103488079
1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride
CID 155822229
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572748
5-(1-ethoxypropan-2-yloxy)-3-methylisoquinolin-8-amine
CID 103486457
1-ethoxypropan-2-yl 2-amino-5-bromobenzoate
CID 103489075
1-(4-amino-3-methylphenoxy)ethanesulfonic acid
CID 174979279
2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-methylaniline?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-methylaniline (CID 103486534) is 4-(1-ethoxypropan-2-yloxy)-2-methylaniline.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-2-methylaniline?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-2-methylaniline is CCOCC(C)Oc1ccc(N)c(C)c1.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-2-methylaniline?
The InChIKey is BYQPBQQKMZFNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-14-8-10(3)15-11-5-6-12(13)9(2)7-11/h5-7,10H,4,8,13H2,1-3H3.
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-2-methylaniline?
4-(1-ethoxypropan-2-yloxy)-2-methylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-2-methylaniline is sourced from PubChem (CID 103486534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).