tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate

C18H29FN2O2 — CID 107253634

IUPACtert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccccc1F
InChIInChI=1S/C18H29FN2O2/c1-6-9-14(12-20-17(22)23-18(3,4)5)21-13(2)15-10-7-8-11-16(15)19/h7-8,10-11,13-14,21H,6,9,12H2,1-5H3,(H,20,22)
InChIKeyWVJPJEPFNUIMTO-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.17
Rot. Bonds7

About tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate

tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate (PubChem CID 107253634) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
PubChem CID107253634
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccccc1F
InChIInChI=1S/C18H29FN2O2/c1-6-9-14(12-20-17(22)23-18(3,4)5)21-13(2)15-10-7-8-11-16(15)19/h7-8,10-11,13-14,21H,6,9,12H2,1-5H3,(H,20,22)
InChIKeyWVJPJEPFNUIMTO-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate
CID 107253757
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
tert-butyl N-[2-[1-(2,6-difluorophenyl)ethylamino]butyl]carbamate
CID 107251177
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
CID 107251325
tert-butyl N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]butyl]carbamate
CID 107251064
tert-butyl N-[2-(1-pyridin-3-ylethylamino)pentyl]carbamate
CID 107253837
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
CID 107253648
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
CID 107253798

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate (CID 107253634) is tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC(C)c1ccccc1F.
What is the InChIKey of tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate?
The InChIKey is WVJPJEPFNUIMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-6-9-14(12-20-17(22)23-18(3,4)5)21-13(2)15-10-7-8-11-16(15)19/h7-8,10-11,13-14,21H,6,9,12H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate?
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate has a molecular weight of 324.44 g/mol, XLogP of 4.17, 7 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-(2-fluorophenyl)ethylamino]pentyl]carbamate is sourced from PubChem (CID 107253634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).