2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol

C24H26FNO — CID 150750558

IUPAC2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol
SMILESCCC(O)(CF)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H26FNO/c1-2-24(27,19-25)22-13-15-23(16-14-22)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,27H,2,17-19H2,1H3
InChIKeyJVTQPXOFIDXXLS-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.46
Rot. Bonds8

About 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol

2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol (PubChem CID 150750558) has the molecular formula C24H26FNO and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol.

Molecular Properties

Compound Name2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol
PubChem CID150750558
Molecular FormulaC24H26FNO
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC Name2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol
SMILESCCC(O)(CF)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H26FNO/c1-2-24(27,19-25)22-13-15-23(16-14-22)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,27H,2,17-19H2,1H3
InChIKeyJVTQPXOFIDXXLS-UHFFFAOYSA-N
XLogP5.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dibenzylamino)phenyl]-2-phenylpropanoic acid
CID 19868014
N,N-dibenzylaniline
CID 139071697
N-benzyl-N-propylaniline
CID 14671265
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273
N,N-dibenzyl-4-(1,4,4-triphenylbuta-1,3-dienyl)aniline
CID 76569660
3-(N-benzyl-4-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 24886302
2-[[1-[benzyl(methyl)amino]-3-fluoropropan-2-yl]amino]-2-[4-(dibenzylamino)phenyl]-3,3,3-trifluoropropanoic acid
CID 178113717
N,N-dibenzyl-4-(2-phenylethenyl)aniline
CID 54154139
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
N-benzyl-N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline
CID 22036185
N,N-dibenzyl-4-[1-[4-(dibenzylamino)phenyl]-2-methylbutyl]aniline
CID 54134308

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol?
The IUPAC name of 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol (CID 150750558) is 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol.
What is the SMILES notation for 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol?
The canonical SMILES for 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol is CCC(O)(CF)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol?
The InChIKey is JVTQPXOFIDXXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO/c1-2-24(27,19-25)22-13-15-23(16-14-22)26(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,27H,2,17-19H2,1H3.
What are the key properties of 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol?
2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol has a molecular weight of 363.48 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dibenzylamino)phenyl]-1-fluorobutan-2-ol is sourced from PubChem (CID 150750558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).