tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate

C16H25FN2O2 — CID 107251081

IUPACtert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c1-5-14(11-19-15(20)21-16(2,3)4)18-10-12-6-8-13(17)9-7-12/h6-9,14,18H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyYPJILQLATDQOLV-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.22
Rot. Bonds6

About tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate

tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate (PubChem CID 107251081) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
PubChem CID107251081
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Nametert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c1-5-14(11-19-15(20)21-16(2,3)4)18-10-12-6-8-13(17)9-7-12/h6-9,14,18H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyYPJILQLATDQOLV-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345
tert-butyl N-[2-[(3-fluoro-4-hydroxyphenyl)methylamino]butyl]carbamate
CID 107686110
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
CID 107250837
tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
CID 107250820
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
CID 107251206
tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
CID 107251255
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
CID 107251113
tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
CID 107253789
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]pentyl]carbamate
CID 107253853
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 54757476

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate (CID 107251081) is tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCc1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate?
The InChIKey is YPJILQLATDQOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-14(11-19-15(20)21-16(2,3)4)18-10-12-6-8-13(17)9-7-12/h6-9,14,18H,5,10-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate?
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate has a molecular weight of 296.39 g/mol, XLogP of 3.22, 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-[(4-fluorophenyl)methylamino]butyl]carbamate is sourced from PubChem (CID 107251081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).