2,5-di(propan-2-yloxy)aniline

C12H19NO2 — CID 18997718

IUPAC2,5-di(propan-2-yloxy)aniline
SMILESCC(C)Oc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C12H19NO2/c1-8(2)14-10-5-6-12(11(13)7-10)15-9(3)4/h5-9H,13H2,1-4H3
InChIKeyWRMMMNKLVPJQQP-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.84
Rot. Bonds4

About 2,5-di(propan-2-yloxy)aniline

2,5-di(propan-2-yloxy)aniline (PubChem CID 18997718) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,5-di(propan-2-yloxy)aniline.

Molecular Properties

Compound Name2,5-di(propan-2-yloxy)aniline
PubChem CID18997718
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2,5-di(propan-2-yloxy)aniline
SMILESCC(C)Oc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C12H19NO2/c1-8(2)14-10-5-6-12(11(13)7-10)15-9(3)4/h5-9H,13H2,1-4H3
InChIKeyWRMMMNKLVPJQQP-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.84
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-methoxy-5-propan-2-yloxyaniline
CID 10081024
3-amino-4-propan-2-yloxybenzenethiol
CID 155017605
2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
CID 166073807
2-chloro-5-propan-2-yloxyaniline
CID 39237829
2,5-di(propan-2-yloxy)phenol
CID 57426094
(2-amino-4-propan-2-yloxyphenyl)methanediol
CID 142498218
2-chloro-4-propan-2-yloxyaniline
CID 62113434
1-(3-amino-4-propan-2-yloxyphenyl)-2,2-dimethylpropan-1-one
CID 82152486
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
CID 2894791
(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82152488

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yloxy)aniline?
The IUPAC name of 2,5-di(propan-2-yloxy)aniline (CID 18997718) is 2,5-di(propan-2-yloxy)aniline.
What is the SMILES notation for 2,5-di(propan-2-yloxy)aniline?
The canonical SMILES for 2,5-di(propan-2-yloxy)aniline is CC(C)Oc1ccc(OC(C)C)c(N)c1.
What is the InChIKey of 2,5-di(propan-2-yloxy)aniline?
The InChIKey is WRMMMNKLVPJQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)14-10-5-6-12(11(13)7-10)15-9(3)4/h5-9H,13H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yloxy)aniline?
2,5-di(propan-2-yloxy)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yloxy)aniline is sourced from PubChem (CID 18997718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).