tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate

C17H27FN2O2 — CID 103901716

IUPACtert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
SMILESCC(CCNC(C)c1ccccc1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27FN2O2/c1-12(20-16(21)22-17(3,4)5)10-11-19-13(2)14-8-6-7-9-15(14)18/h6-9,12-13,19H,10-11H2,1-5H3,(H,20,21)
InChIKeyTZUXGTVWZDVQRR-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.78
Rot. Bonds6

About tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate

tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate (PubChem CID 103901716) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
PubChem CID103901716
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC Nametert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
SMILESCC(CCNC(C)c1ccccc1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27FN2O2/c1-12(20-16(21)22-17(3,4)5)10-11-19-13(2)14-8-6-7-9-15(14)18/h6-9,12-13,19H,10-11H2,1-5H3,(H,20,21)
InChIKeyTZUXGTVWZDVQRR-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 103257452
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
tert-butyl N-[(2R,4R)-4-[2-(2-fluorophenyl)ethylamino]pentan-2-yl]carbamate
CID 97253959
tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
CID 107242692
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706
methyl (2S)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 90119449
(2R,3S)-3-(2-fluorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7176465
3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232
(2R,3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 40787326

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate (CID 103901716) is tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate is CC(CCNC(C)c1ccccc1F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate?
The InChIKey is TZUXGTVWZDVQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2/c1-12(20-16(21)22-17(3,4)5)10-11-19-13(2)14-8-6-7-9-15(14)18/h6-9,12-13,19H,10-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate?
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate has a molecular weight of 310.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate is sourced from PubChem (CID 103901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).