3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine

C17H28FN — CID 58048830

IUPAC3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCc1cc(F)ccc1C(C)(C)C
InChIInChI=1S/C17H28FN/c1-6-19(7-2)12-8-9-14-13-15(18)10-11-16(14)17(3,4)5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyPONVCMLMEBGPGL-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.40
Rot. Bonds6

About 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine

3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine (PubChem CID 58048830) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine
PubChem CID58048830
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCc1cc(F)ccc1C(C)(C)C
InChIInChI=1S/C17H28FN/c1-6-19(7-2)12-8-9-14-13-15(18)10-11-16(14)17(3,4)5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyPONVCMLMEBGPGL-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine (CID 58048830) is 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine is CCN(CC)CCCc1cc(F)ccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine?
The InChIKey is PONVCMLMEBGPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-6-19(7-2)12-8-9-14-13-15(18)10-11-16(14)17(3,4)5/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine?
3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 58048830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).