4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol

C16H17ClFNO2 — CID 107685652

IUPAC4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol
SMILESCCCOc1ccc(Cl)cc1NCc1ccc(O)c(F)c1
InChIInChI=1S/C16H17ClFNO2/c1-2-7-21-16-6-4-12(17)9-14(16)19-10-11-3-5-15(20)13(18)8-11/h3-6,8-9,19-20H,2,7,10H2,1H3
InChIKeyDKZMHXMGEADHCJ-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.59
Rot. Bonds6

About 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol

4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol (PubChem CID 107685652) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol
PubChem CID107685652
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol
SMILESCCCOc1ccc(Cl)cc1NCc1ccc(O)c(F)c1
InChIInChI=1S/C16H17ClFNO2/c1-2-7-21-16-6-4-12(17)9-14(16)19-10-11-3-5-15(20)13(18)8-11/h3-6,8-9,19-20H,2,7,10H2,1H3
InChIKeyDKZMHXMGEADHCJ-UHFFFAOYSA-N
XLogP4.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
CID 63453538
3-[(5-chloro-2-propoxyanilino)methyl]benzonitrile
CID 60934911
4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
CID 107685258
5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
CID 54864869
N-[(3-bromo-4-fluorophenyl)methyl]-2-propoxyaniline
CID 43682303
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-propoxyaniline
CID 63453193
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62746982

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol (CID 107685652) is 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol is CCCOc1ccc(Cl)cc1NCc1ccc(O)c(F)c1.
What is the InChIKey of 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol?
The InChIKey is DKZMHXMGEADHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-2-7-21-16-6-4-12(17)9-14(16)19-10-11-3-5-15(20)13(18)8-11/h3-6,8-9,19-20H,2,7,10H2,1H3.
What are the key properties of 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol?
4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol has a molecular weight of 309.77 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-propoxyanilino)methyl]-2-fluorophenol is sourced from PubChem (CID 107685652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).