(1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol

C16H16FN5O — CID 94813278

IUPAC(1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol
SMILESCc1ccc(-n2nnnc2NC[C@@H](O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FN5O/c1-11-5-7-14(8-6-11)22-16(19-20-21-22)18-10-15(23)12-3-2-4-13(17)9-12/h2-9,15,23H,10H2,1H3,(H,18,19,21)/t15-/m1/s1
InChIKeyDVKOJVKWOIVDJR-OAHLLOKOSA-N
MW313.34 g/mol
LogP2.26
Rot. Bonds5

About (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol

(1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol (PubChem CID 94813278) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol
PubChem CID94813278
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name(1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol
SMILESCc1ccc(-n2nnnc2NC[C@@H](O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FN5O/c1-11-5-7-14(8-6-11)22-16(19-20-21-22)18-10-15(23)12-3-2-4-13(17)9-12/h2-9,15,23H,10H2,1H3,(H,18,19,21)/t15-/m1/s1
InChIKeyDVKOJVKWOIVDJR-OAHLLOKOSA-N
XLogP2.26
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
1-(4-fluorophenoxy)-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-2-ol
CID 133272708
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355439
1-(3-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355811
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479938
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol?
The IUPAC name of (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol (CID 94813278) is (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol is Cc1ccc(-n2nnnc2NC[C@@H](O)c2cccc(F)c2)cc1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol?
The InChIKey is DVKOJVKWOIVDJR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-11-5-7-14(8-6-11)22-16(19-20-21-22)18-10-15(23)12-3-2-4-13(17)9-12/h2-9,15,23H,10H2,1H3,(H,18,19,21)/t15-/m1/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol?
(1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol has a molecular weight of 313.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethanol is sourced from PubChem (CID 94813278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).