tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate

C19H28F2N2O2 — CID 113247871

IUPACtert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate
SMILESCC(NC1CCCC(NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1F
InChIInChI=1S/C19H28F2N2O2/c1-12(16-10-13(20)8-9-17(16)21)22-14-6-5-7-15(11-14)23-18(24)25-19(2,3)4/h8-10,12,14-15,22H,5-7,11H2,1-4H3,(H,23,24)
InChIKeyCWIZHWWSXRBRTD-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.45
Rot. Bonds4

About tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate

tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate (PubChem CID 113247871) has the molecular formula C19H28F2N2O2 and a molecular weight of 354.44 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate
PubChem CID113247871
Molecular FormulaC19H28F2N2O2
Molecular Weight354.44 g/mol
Exact Mass354.21
IUPAC Nametert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate
SMILESCC(NC1CCCC(NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1F
InChIInChI=1S/C19H28F2N2O2/c1-12(16-10-13(20)8-9-17(16)21)22-14-6-5-7-15(11-14)23-18(24)25-19(2,3)4/h8-10,12,14-15,22H,5-7,11H2,1-4H3,(H,23,24)
InChIKeyCWIZHWWSXRBRTD-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
CID 103720059
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentyl]carbamate
CID 113247851
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239026
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-(5-fluoro-2-nitroanilino)cyclohexyl]carbamate
CID 113268191
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate (CID 113247871) is tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate is CC(NC1CCCC(NC(=O)OC(C)(C)C)C1)c1cc(F)ccc1F.
What is the InChIKey of tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate?
The InChIKey is CWIZHWWSXRBRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O2/c1-12(16-10-13(20)8-9-17(16)21)22-14-6-5-7-15(11-14)23-18(24)25-19(2,3)4/h8-10,12,14-15,22H,5-7,11H2,1-4H3,(H,23,24).
What are the key properties of tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate has a molecular weight of 354.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 113247871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).