tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate

C17H23FN2O3 — CID 107240750

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)cc1NCC1CCC=CO1
InChIInChI=1S/C17H23FN2O3/c1-17(2,3)23-16(21)20-14-8-7-12(18)10-15(14)19-11-13-6-4-5-9-22-13/h5,7-10,13,19H,4,6,11H2,1-3H3,(H,20,21)
InChIKeyUDCQHIPBKADXLX-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.28
Rot. Bonds4

About tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate (PubChem CID 107240750) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate
PubChem CID107240750
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)cc1NCC1CCC=CO1
InChIInChI=1S/C17H23FN2O3/c1-17(2,3)23-16(21)20-14-8-7-12(18)10-15(14)19-11-13-6-4-5-9-22-13/h5,7-10,13,19H,4,6,11H2,1-3H3,(H,20,21)
InChIKeyUDCQHIPBKADXLX-UHFFFAOYSA-N
XLogP4.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
CID 107240161
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-5-fluorobenzoate
CID 62065809
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,4-difluoroaniline
CID 62066136
tert-butyl N-[4-fluoro-2-(thiolan-3-ylmethylamino)phenyl]carbamate
CID 107240887
2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]-5-fluorobenzonitrile
CID 124571569
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-5-methylbenzoate
CID 55030210
tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 107240717
tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
tert-butyl N-[4-fluoro-2-[(5-iodofuran-2-yl)methylamino]phenyl]carbamate
CID 107240771
tert-butyl N-[4-fluoro-2-(thian-4-ylamino)phenyl]carbamate
CID 107240824
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate
CID 107240818

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate (CID 107240750) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(F)cc1NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate?
The InChIKey is UDCQHIPBKADXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-17(2,3)23-16(21)20-14-8-7-12(18)10-15(14)19-11-13-6-4-5-9-22-13/h5,7-10,13,19H,4,6,11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate has a molecular weight of 322.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate is sourced from PubChem (CID 107240750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).