tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate

C18H29FN2O2 — CID 107242692

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

About tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate

tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate (PubChem CID 107242692) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
PubChem CID107242692
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
SMILESCCN(CCCNC(C)c1ccccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C18H29FN2O2/c1-6-21(17(22)23-18(3,4)5)13-9-12-20-14(2)15-10-7-8-11-16(15)19/h7-8,10-11,14,20H,6,9,12-13H2,1-5H3
InChIKeyRMIUTSZKJPITKX-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
CID 103781324
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
CID 107245256
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 103257452
tert-butyl N-[3-[1-(2-fluorophenyl)propylamino]propyl]-N-methylcarbamate
CID 107242068
tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
CID 107242750
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245
tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
CID 103913902
tert-butyl N-ethyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-(tritylamino)propyl]amino]butyl]carbamate
CID 101096516
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate (CID 107242692) is tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate is CCN(CCCNC(C)c1ccccc1F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate?
The InChIKey is RMIUTSZKJPITKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-6-21(17(22)23-18(3,4)5)13-9-12-20-14(2)15-10-7-8-11-16(15)19/h7-8,10-11,14,20H,6,9,12-13H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate?
tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate has a molecular weight of 324.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107242692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).