2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol

C20H26FNO — CID 22261419

IUPAC2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol
SMILESCC(C)(C)c1ccc(CCC(N)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H26FNO/c1-20(2,3)16-9-4-14(5-10-16)6-13-18(22)19(23)15-7-11-17(21)12-8-15/h4-5,7-12,18-19,23H,6,13,22H2,1-3H3
InChIKeyMNEFOIJAAAXITN-UHFFFAOYSA-N
MW315.43 g/mol
LogP4.12
Rot. Bonds5

About 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol

2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol (PubChem CID 22261419) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol
PubChem CID22261419
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol
SMILESCC(C)(C)c1ccc(CCC(N)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H26FNO/c1-20(2,3)16-9-4-14(5-10-16)6-13-18(22)19(23)15-7-11-17(21)12-8-15/h4-5,7-12,18-19,23H,6,13,22H2,1-3H3
InChIKeyMNEFOIJAAAXITN-UHFFFAOYSA-N
XLogP4.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol (CID 22261419) is 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol is CC(C)(C)c1ccc(CCC(N)C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol?
The InChIKey is MNEFOIJAAAXITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-20(2,3)16-9-4-14(5-10-16)6-13-18(22)19(23)15-7-11-17(21)12-8-15/h4-5,7-12,18-19,23H,6,13,22H2,1-3H3.
What are the key properties of 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol?
2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol has a molecular weight of 315.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-tert-butylphenyl)-1-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 22261419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).