tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate

C17H27FN2O2 — CID 107253789

IUPACtert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NCc1cccc(F)c1
InChIInChI=1S/C17H27FN2O2/c1-5-7-15(12-20-16(21)22-17(2,3)4)19-11-13-8-6-9-14(18)10-13/h6,8-10,15,19H,5,7,11-12H2,1-4H3,(H,20,21)
InChIKeyPAAYSLVKXHHORM-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.61
Rot. Bonds7

About tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate

tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate (PubChem CID 107253789) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
PubChem CID107253789
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC Nametert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NCc1cccc(F)c1
InChIInChI=1S/C17H27FN2O2/c1-5-7-15(12-20-16(21)22-17(2,3)4)19-11-13-8-6-9-14(18)10-13/h6,8-10,15,19H,5,7,11-12H2,1-4H3,(H,20,21)
InChIKeyPAAYSLVKXHHORM-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(3-bromophenyl)methylamino]pentyl]carbamate
CID 107253486
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]pentyl]carbamate
CID 107253853
tert-butyl N-[2-[(3-cyano-4-fluorophenyl)methylamino]pentyl]carbamate
CID 114017992
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]pentyl]carbamate
CID 107253882
tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
tert-butyl N-[2-[(1-methylpyrrol-3-yl)methylamino]pentyl]carbamate
CID 107253653
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
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-[(5-nitrothiophen-3-yl)methylamino]pentyl]carbamate
CID 107253855
tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate
CID 84730610
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253580

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate (CID 107253789) is tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NCc1cccc(F)c1.
What is the InChIKey of tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate?
The InChIKey is PAAYSLVKXHHORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2/c1-5-7-15(12-20-16(21)22-17(2,3)4)19-11-13-8-6-9-14(18)10-13/h6,8-10,15,19H,5,7,11-12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate?
tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate has a molecular weight of 310.41 g/mol, XLogP of 3.61, 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-[(3-fluorophenyl)methylamino]pentyl]carbamate is sourced from PubChem (CID 107253789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).