5-(3-tert-butylphenyl)-2-fluoropentan-2-amine

C15H24FN — CID 70646222

IUPAC5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
SMILESCC(N)(F)CCCc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H24FN/c1-14(2,3)13-9-5-7-12(11-13)8-6-10-15(4,16)17/h5,7,9,11H,6,8,10,17H2,1-4H3
InChIKeyAEWVLULUTKPNNY-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.95
Rot. Bonds4

About 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine

5-(3-tert-butylphenyl)-2-fluoropentan-2-amine (PubChem CID 70646222) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
PubChem CID70646222
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
SMILESCC(N)(F)CCCc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H24FN/c1-14(2,3)13-9-5-7-12(11-13)8-6-10-15(4,16)17/h5,7,9,11H,6,8,10,17H2,1-4H3
InChIKeyAEWVLULUTKPNNY-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
CID 66581986
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642
4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine
CID 116992656
2-(3-chlorophenyl)-5-phenylpentan-2-amine
CID 55095968
3-[3-(1,1-difluoroethyl)phenyl]-N-methylpropan-1-amine
CID 116992431
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol
CID 71034690
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
3-(3-tert-butylphenyl)propyl pentanoate
CID 118040230
3-(3-tert-butylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)propan-1-imine
CID 175006473
bis(3-tert-butylphenyl)methanediamine
CID 141292033

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine?
The IUPAC name of 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine (CID 70646222) is 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine.
What is the SMILES notation for 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine?
The canonical SMILES for 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine is CC(N)(F)CCCc1cccc(C(C)(C)C)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine?
The InChIKey is AEWVLULUTKPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-14(2,3)13-9-5-7-12(11-13)8-6-10-15(4,16)17/h5,7,9,11H,6,8,10,17H2,1-4H3.
What are the key properties of 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine?
5-(3-tert-butylphenyl)-2-fluoropentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-2-fluoropentan-2-amine is sourced from PubChem (CID 70646222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).