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

C14H19F2NO3 — CID 60899301

IUPAC1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
SMILESOC(CNc1ccc(OC(F)F)cc1)COCC1CC1
InChIInChI=1S/C14H19F2NO3/c15-14(16)20-13-5-3-11(4-6-13)17-7-12(18)9-19-8-10-1-2-10/h3-6,10,12,14,17-18H,1-2,7-9H2
InChIKeyWGZZFZGDCMXPJJ-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.49
Rot. Bonds9

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

1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol (PubChem CID 60899301) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
PubChem CID60899301
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
SMILESOC(CNc1ccc(OC(F)F)cc1)COCC1CC1
InChIInChI=1S/C14H19F2NO3/c15-14(16)20-13-5-3-11(4-6-13)17-7-12(18)9-19-8-10-1-2-10/h3-6,10,12,14,17-18H,1-2,7-9H2
InChIKeyWGZZFZGDCMXPJJ-UHFFFAOYSA-N
XLogP2.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.49
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

1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol
CID 109391103
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol
CID 60900056
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol (CID 60899301) is 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol is OC(CNc1ccc(OC(F)F)cc1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol?
The InChIKey is WGZZFZGDCMXPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c15-14(16)20-13-5-3-11(4-6-13)17-7-12(18)9-19-8-10-1-2-10/h3-6,10,12,14,17-18H,1-2,7-9H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol has a molecular weight of 287.31 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol is sourced from PubChem (CID 60899301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).