1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol

C16H17ClFNO2 — CID 168639837

IUPAC1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol
SMILESOC(CCl)CNc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H17ClFNO2/c17-9-15(20)10-19-14-2-1-3-16(8-14)21-11-12-4-6-13(18)7-5-12/h1-8,15,19-20H,9-11H2
InChIKeyWQSRFPRSJCPAGE-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.42
Rot. Bonds7

About 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol

1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol (PubChem CID 168639837) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol
PubChem CID168639837
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol
SMILESOC(CCl)CNc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H17ClFNO2/c17-9-15(20)10-19-14-2-1-3-16(8-14)21-11-12-4-6-13(18)7-5-12/h1-8,15,19-20H,9-11H2
InChIKeyWQSRFPRSJCPAGE-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-ethoxyanilino)propan-2-ol
CID 168636629
1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[3-[(4-fluorophenyl)methoxy]phenyl]urea
CID 56520326
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[1-hydroxy-2-(3-phenylmethoxyanilino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 177383252
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol (CID 168639837) is 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol is OC(CCl)CNc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol?
The InChIKey is WQSRFPRSJCPAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c17-9-15(20)10-19-14-2-1-3-16(8-14)21-11-12-4-6-13(18)7-5-12/h1-8,15,19-20H,9-11H2.
What are the key properties of 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol?
1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol has a molecular weight of 309.77 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol is sourced from PubChem (CID 168639837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).