(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol

C24H26FNO — CID 71501124

IUPAC(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol
SMILESC[C@H](F)[C@H](O)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26FNO/c1-19(25)24(27)23(22-15-9-4-10-16-22)26(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23-24,27H,17-18H2,1H3/t19-,23-,24-/m0/s1
InChIKeyDOSYFIOWHUXISJ-IGKWTDBASA-N
MW363.48 g/mol
LogP5.15
Rot. Bonds8

About (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol

(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol (PubChem CID 71501124) has the molecular formula C24H26FNO and a molecular weight of 363.48 g/mol. Its IUPAC name is (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol.

Molecular Properties

Compound Name(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol
PubChem CID71501124
Molecular FormulaC24H26FNO
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC Name(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol
SMILESC[C@H](F)[C@H](O)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26FNO/c1-19(25)24(27)23(22-15-9-4-10-16-22)26(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23-24,27H,17-18H2,1H3/t19-,23-,24-/m0/s1
InChIKeyDOSYFIOWHUXISJ-IGKWTDBASA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinnamedrine
CID 5370611
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
6-[Methyl(prop-2-enyl)amino]-4,4-diphenylheptan-3-ol
CID 44382932
alpha-[[Methyl-[[2'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl]amino]methyl]-benzenemethanol
CID 10249485
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(S)-(+)-2-(Dibenzylamino)-3-phenyl-1-propanol
CID 7019180
Trecadrine
CID 11740693
1-Benzhydryl-4-benzylpiperidin-4-ol
CID 44430028
trans-(1R,2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol
CID 1215901
1-(1-Benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride
CID 10088107

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol?
The IUPAC name of (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol (CID 71501124) is (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol.
What is the SMILES notation for (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol?
The canonical SMILES for (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol is C[C@H](F)[C@H](O)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol?
The InChIKey is DOSYFIOWHUXISJ-IGKWTDBASA-N. The full InChI is InChI=1S/C24H26FNO/c1-19(25)24(27)23(22-15-9-4-10-16-22)26(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23-24,27H,17-18H2,1H3/t19-,23-,24-/m0/s1.
What are the key properties of (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol?
(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol has a molecular weight of 363.48 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol is sourced from PubChem (CID 71501124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).