2-[[4-(3-fluorophenyl)anilino]methyl]phenol

C19H16FNO — CID 122182740

IUPAC2-[[4-(3-fluorophenyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C19H16FNO/c20-17-6-3-5-15(12-17)14-8-10-18(11-9-14)21-13-16-4-1-2-7-19(16)22/h1-12,21-22H,13H2
InChIKeyDCXHIFAYABGODO-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.81
Rot. Bonds4

About 2-[[4-(3-fluorophenyl)anilino]methyl]phenol

2-[[4-(3-fluorophenyl)anilino]methyl]phenol (PubChem CID 122182740) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)anilino]methyl]phenol
PubChem CID122182740
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC Name2-[[4-(3-fluorophenyl)anilino]methyl]phenol
SMILESOc1ccccc1CNc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C19H16FNO/c20-17-6-3-5-15(12-17)14-8-10-18(11-9-14)21-13-16-4-1-2-7-19(16)22/h1-12,21-22H,13H2
InChIKeyDCXHIFAYABGODO-UHFFFAOYSA-N
XLogP4.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluoroanilino)methyl]phenol
CID 27267422
2-[[4-(4-methylphenyl)anilino]methyl]phenol
CID 122182729
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
2-[[4-(2-chlorophenyl)anilino]methyl]phenol
CID 122182748
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid
CID 115461455
4-fluoro-3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]-2,5-dimethylphenol
CID 89445129
2-[(2-fluoroanilino)methyl]-4-methylphenol;2-[(3-fluoroanilino)methyl]-4-methylphenol;2-[(4-fluoroanilino)methyl]-4-methylphenol
CID 167548987
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol;hydrochloride
CID 44657879
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)anilino]methyl]phenol?
The IUPAC name of 2-[[4-(3-fluorophenyl)anilino]methyl]phenol (CID 122182740) is 2-[[4-(3-fluorophenyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[4-(3-fluorophenyl)anilino]methyl]phenol is Oc1ccccc1CNc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)anilino]methyl]phenol?
The InChIKey is DCXHIFAYABGODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO/c20-17-6-3-5-15(12-17)14-8-10-18(11-9-14)21-13-16-4-1-2-7-19(16)22/h1-12,21-22H,13H2.
What are the key properties of 2-[[4-(3-fluorophenyl)anilino]methyl]phenol?
2-[[4-(3-fluorophenyl)anilino]methyl]phenol has a molecular weight of 293.34 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)anilino]methyl]phenol is sourced from PubChem (CID 122182740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).