4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol

C16H15F2NO — CID 64794069

IUPAC4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol
SMILESOc1ccc(NC(c2ccc(F)cc2)C2CC2)cc1F
InChIInChI=1S/C16H15F2NO/c17-12-5-3-11(4-6-12)16(10-1-2-10)19-13-7-8-15(20)14(18)9-13/h3-10,16,19-20H,1-2H2
InChIKeyAUUJELGMMMCPKQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.23
Rot. Bonds4

About 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol

4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol (PubChem CID 64794069) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol.

Molecular Properties

Compound Name4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol
PubChem CID64794069
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol
SMILESOc1ccc(NC(c2ccc(F)cc2)C2CC2)cc1F
InChIInChI=1S/C16H15F2NO/c17-12-5-3-11(4-6-12)16(10-1-2-10)19-13-7-8-15(20)14(18)9-13/h3-10,16,19-20H,1-2H2
InChIKeyAUUJELGMMMCPKQ-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
CID 62317514
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803874
2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43772571
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
CID 43790697
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
CID 43776718
4-[(R)-amino(cyclopropyl)methyl]-2-fluorophenol
CID 55254203

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol?
The IUPAC name of 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol (CID 64794069) is 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol.
What is the SMILES notation for 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol?
The canonical SMILES for 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol is Oc1ccc(NC(c2ccc(F)cc2)C2CC2)cc1F.
What is the InChIKey of 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol?
The InChIKey is AUUJELGMMMCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-12-5-3-11(4-6-12)16(10-1-2-10)19-13-7-8-15(20)14(18)9-13/h3-10,16,19-20H,1-2H2.
What are the key properties of 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol?
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol has a molecular weight of 275.30 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol is sourced from PubChem (CID 64794069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).