tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate

C18H29FN2O2 — CID 107245256

IUPACtert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
SMILESCCN(CCNC(C)Cc1ccccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C18H29FN2O2/c1-6-21(17(22)23-18(3,4)5)12-11-20-14(2)13-15-9-7-8-10-16(15)19/h7-10,14,20H,6,11-13H2,1-5H3
InChIKeyCWAUMWGXQPLZEY-UHFFFAOYSA-N
MW324.44 g/mol
LogP3.60
Rot. Bonds7

About tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate

tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate (PubChem CID 107245256) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
PubChem CID107245256
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
SMILESCCN(CCNC(C)Cc1ccccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C18H29FN2O2/c1-6-21(17(22)23-18(3,4)5)12-11-20-14(2)13-15-9-7-8-10-16(15)19/h7-10,14,20H,6,11-13H2,1-5H3
InChIKeyCWAUMWGXQPLZEY-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
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tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
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tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
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3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
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tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate
CID 97253959
tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
CID 107242570
tert-butyl N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256902
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
CID 103913902
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate (CID 107245256) is tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate is CCN(CCNC(C)Cc1ccccc1F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate?
The InChIKey is CWAUMWGXQPLZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-6-21(17(22)23-18(3,4)5)12-11-20-14(2)13-15-9-7-8-10-16(15)19/h7-10,14,20H,6,11-13H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate?
tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate has a molecular weight of 324.44 g/mol, XLogP of 3.60, 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-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate is sourced from PubChem (CID 107245256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).