1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol

C12H18F2N2O2 — CID 60900056

IUPAC1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H18F2N2O2/c1-16(2)8-10(17)7-15-9-3-5-11(6-4-9)18-12(13)14/h3-6,10,12,15,17H,7-8H2,1-2H3
InChIKeyHNXVIRQWCSEKHG-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.62
Rot. Bonds7

About 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol

1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol (PubChem CID 60900056) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol
PubChem CID60900056
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H18F2N2O2/c1-16(2)8-10(17)7-15-9-3-5-11(6-4-9)18-12(13)14/h3-6,10,12,15,17H,7-8H2,1-2H3
InChIKeyHNXVIRQWCSEKHG-UHFFFAOYSA-N
XLogP1.62
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
CID 60897390
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
1-(dimethylamino)-3-[(6-methoxy-3-pyridinyl)amino]propan-2-ol
CID 60903400
1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
CID 168638697
N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-(difluoromethoxy)aniline
CID 106437440
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
CID 107619934
6-[4-(difluoromethoxy)anilino]hexan-1-ol
CID 113264757
3-(4-butan-2-yloxyanilino)propane-1,2-diol
CID 168593444

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol (CID 60900056) is 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol is CN(C)CC(O)CNc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol?
The InChIKey is HNXVIRQWCSEKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-16(2)8-10(17)7-15-9-3-5-11(6-4-9)18-12(13)14/h3-6,10,12,15,17H,7-8H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol?
1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol has a molecular weight of 260.28 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 60900056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).