1-(4-propan-2-yloxyanilino)propan-2-ol

C12H19NO2 — CID 60884115

IUPAC1-(4-propan-2-yloxyanilino)propan-2-ol
SMILESCC(O)CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H19NO2/c1-9(2)15-12-6-4-11(5-7-12)13-8-10(3)14/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyLWTUWAHAWHVALY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-propan-2-yloxyanilino)propan-2-ol

1-(4-propan-2-yloxyanilino)propan-2-ol (PubChem CID 60884115) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-propan-2-yloxyanilino)propan-2-ol
PubChem CID60884115
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(4-propan-2-yloxyanilino)propan-2-ol
SMILESCC(O)CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H19NO2/c1-9(2)15-12-6-4-11(5-7-12)13-8-10(3)14/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyLWTUWAHAWHVALY-UHFFFAOYSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
3-methyl-1-N-(4-propan-2-yloxyphenyl)butane-1,2-diamine
CID 83945808
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
(2S)-1-(4-methylsulfanylanilino)propan-2-ol
CID 93345415
[4-(2-hydroxypropylamino)phenyl]boronic acid
CID 155793577
3,3,3-trifluoro-2-[(4-propan-2-yloxyanilino)methyl]propanoic acid
CID 103236646
N-methyl-4-propan-2-yloxyaniline
CID 18002910
methyl 2-acetamido-3-(4-propan-2-yloxyanilino)propanoate
CID 103236649
1-(4-propylanilino)propan-2-ol
CID 60884974

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyanilino)propan-2-ol?
The IUPAC name of 1-(4-propan-2-yloxyanilino)propan-2-ol (CID 60884115) is 1-(4-propan-2-yloxyanilino)propan-2-ol.
What is the SMILES notation for 1-(4-propan-2-yloxyanilino)propan-2-ol?
The canonical SMILES for 1-(4-propan-2-yloxyanilino)propan-2-ol is CC(O)CNc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyanilino)propan-2-ol?
The InChIKey is LWTUWAHAWHVALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)15-12-6-4-11(5-7-12)13-8-10(3)14/h4-7,9-10,13-14H,8H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxyanilino)propan-2-ol?
1-(4-propan-2-yloxyanilino)propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyanilino)propan-2-ol is sourced from PubChem (CID 60884115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).