1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol

C13H16F3NO2 — CID 62810281

IUPAC1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
SMILESOC(CNc1cc(F)c(F)c(F)c1)COCC1CC1
InChIInChI=1S/C13H16F3NO2/c14-11-3-9(4-12(15)13(11)16)17-5-10(18)7-19-6-8-1-2-8/h3-4,8,10,17-18H,1-2,5-7H2
InChIKeyZUGYNUGXZAVHAK-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.30
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol

1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol (PubChem CID 62810281) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
PubChem CID62810281
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
SMILESOC(CNc1cc(F)c(F)c(F)c1)COCC1CC1
InChIInChI=1S/C13H16F3NO2/c14-11-3-9(4-12(15)13(11)16)17-5-10(18)7-19-6-8-1-2-8/h3-4,8,10,17-18H,1-2,5-7H2
InChIKeyZUGYNUGXZAVHAK-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
1-(5-bromo-2,4-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 102853501
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 83087367
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125
3-[4-(cyclobutylmethoxy)-3,5-difluoroanilino]propane-1,2-diol
CID 168597020
1-chloro-3-[4-(cyclobutylmethoxy)-3,5-difluoroanilino]propan-2-ol
CID 168637854

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol (CID 62810281) is 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol is OC(CNc1cc(F)c(F)c(F)c1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol?
The InChIKey is ZUGYNUGXZAVHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-11-3-9(4-12(15)13(11)16)17-5-10(18)7-19-6-8-1-2-8/h3-4,8,10,17-18H,1-2,5-7H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol?
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol has a molecular weight of 275.27 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol is sourced from PubChem (CID 62810281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).