(2R)-1-(4-propoxyanilino)propan-2-ol

C12H19NO2 — CID 106932070

IUPAC(2R)-1-(4-propoxyanilino)propan-2-ol
SMILESCCCOc1ccc(NC[C@@H](C)O)cc1
InChIInChI=1S/C12H19NO2/c1-3-8-15-12-6-4-11(5-7-12)13-9-10(2)14/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyHHJBFBCIVWQNNJ-SNVBAGLBSA-N
MW209.29 g/mol
LogP2.27
Rot. Bonds6

About (2R)-1-(4-propoxyanilino)propan-2-ol

(2R)-1-(4-propoxyanilino)propan-2-ol (PubChem CID 106932070) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-1-(4-propoxyanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-propoxyanilino)propan-2-ol
PubChem CID106932070
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2R)-1-(4-propoxyanilino)propan-2-ol
SMILESCCCOc1ccc(NC[C@@H](C)O)cc1
InChIInChI=1S/C12H19NO2/c1-3-8-15-12-6-4-11(5-7-12)13-9-10(2)14/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyHHJBFBCIVWQNNJ-SNVBAGLBSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
1-(3-amino-5-propoxyanilino)propan-2-ol
CID 80721564
2-(4-propoxyanilino)acetic acid
CID 15310375
N-pentan-2-yl-2-(4-propoxyanilino)acetamide
CID 62328507
N-(2-bromoprop-2-enyl)-4-propoxyaniline
CID 62328156
N-propan-2-yl-4-propoxyaniline
CID 21311809
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
3-(4-nonoxyanilino)propane-1,2-diol
CID 168593717
N-[2-(2-methylphenoxy)propyl]-4-propoxyaniline
CID 54799019
N-(2,3-dichloroprop-2-enyl)-4-propoxyaniline
CID 79167267

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-propoxyanilino)propan-2-ol?
The IUPAC name of (2R)-1-(4-propoxyanilino)propan-2-ol (CID 106932070) is (2R)-1-(4-propoxyanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-propoxyanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-propoxyanilino)propan-2-ol is CCCOc1ccc(NC[C@@H](C)O)cc1.
What is the InChIKey of (2R)-1-(4-propoxyanilino)propan-2-ol?
The InChIKey is HHJBFBCIVWQNNJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-8-15-12-6-4-11(5-7-12)13-9-10(2)14/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-(4-propoxyanilino)propan-2-ol?
(2R)-1-(4-propoxyanilino)propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-propoxyanilino)propan-2-ol is sourced from PubChem (CID 106932070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).