tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate

C17H27FN2O2 — CID 107248141

IUPACtert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
SMILESCCC(NC(C)CNC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O2/c1-6-15(13-7-9-14(18)10-8-13)20-12(2)11-19-16(21)22-17(3,4)5/h7-10,12,15,20H,6,11H2,1-5H3,(H,19,21)
InChIKeyHOXUSPADPAATHL-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.78
Rot. Bonds6

About tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate

tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate (PubChem CID 107248141) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
PubChem CID107248141
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC Nametert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
SMILESCCC(NC(C)CNC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O2/c1-6-15(13-7-9-14(18)10-8-13)20-12(2)11-19-16(21)22-17(3,4)5/h7-10,12,15,20H,6,11H2,1-5H3,(H,19,21)
InChIKeyHOXUSPADPAATHL-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
CID 107250837
tert-butyl N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]carbamate
CID 107248301
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate (CID 107248141) is tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate is CCC(NC(C)CNC(=O)OC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate?
The InChIKey is HOXUSPADPAATHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2/c1-6-15(13-7-9-14(18)10-8-13)20-12(2)11-19-16(21)22-17(3,4)5/h7-10,12,15,20H,6,11H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate?
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate has a molecular weight of 310.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate is sourced from PubChem (CID 107248141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).