1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol

C14H19ClFNO3 — CID 60900045

IUPAC1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1ccc(F)cc1Cl)COCC1CCCO1
InChIInChI=1S/C14H19ClFNO3/c15-13-6-10(16)3-4-14(13)17-7-11(18)8-19-9-12-2-1-5-20-12/h3-4,6,11-12,17-18H,1-2,5,7-9H2
InChIKeyRHYJOAFNKBPDRS-UHFFFAOYSA-N
MW303.76 g/mol
LogP2.45
Rot. Bonds7

About 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol

1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 60900045) has the molecular formula C14H19ClFNO3 and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID60900045
Molecular FormulaC14H19ClFNO3
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1ccc(F)cc1Cl)COCC1CCCO1
InChIInChI=1S/C14H19ClFNO3/c15-13-6-10(16)3-4-14(13)17-7-11(18)8-19-9-12-2-1-5-20-12/h3-4,6,11-12,17-18H,1-2,5,7-9H2
InChIKeyRHYJOAFNKBPDRS-UHFFFAOYSA-N
XLogP2.45
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-chloro-4-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 104723529
1-(2-bromoanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60896835
1-(4-bromo-2-ethylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81288502
1-(2,6-difluoro-3-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 82801882
1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60633304
1-(3-bromo-4-methylanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 63334174
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81355892
1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283478
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 75386813
1-chloro-3-(oxan-2-ylmethoxy)propan-2-ol
CID 112560571
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 60900045) is 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol is OC(CNc1ccc(F)cc1Cl)COCC1CCCO1.
What is the InChIKey of 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is RHYJOAFNKBPDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3/c15-13-6-10(16)3-4-14(13)17-7-11(18)8-19-9-12-2-1-5-20-12/h3-4,6,11-12,17-18H,1-2,5,7-9H2.
What are the key properties of 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 303.76 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60900045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).