tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate

C17H26FN3O2 — CID 162353304

IUPACtert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate
SMILESC[C@@H](N)c1cc(F)ccc1N1CCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H26FN3O2/c1-11(19)14-9-12(18)5-6-15(14)21-8-7-13(21)10-20-16(22)23-17(2,3)4/h5-6,9,11,13H,7-8,10,19H2,1-4H3,(H,20,22)/t11-,13?/m1/s1
InChIKeyCSXMAHWEEBMQBY-JTDNENJMSA-N
MW323.41 g/mol
LogP2.95
Rot. Bonds4

About tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate

tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate (PubChem CID 162353304) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate
PubChem CID162353304
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Nametert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate
SMILESC[C@@H](N)c1cc(F)ccc1N1CCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H26FN3O2/c1-11(19)14-9-12(18)5-6-15(14)21-8-7-13(21)10-20-16(22)23-17(2,3)4/h5-6,9,11,13H,7-8,10,19H2,1-4H3,(H,20,22)/t11-,13?/m1/s1
InChIKeyCSXMAHWEEBMQBY-JTDNENJMSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-(4-fluoro-2-formylphenyl)azetidin-2-yl]methyl]carbamate
CID 162353310
[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl carbamate
CID 175168258
tert-butyl-[[5-fluoro-2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidin-1-yl]phenyl]methylideneamino]-oxidosulfanium
CID 175171463
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 133080612
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate
CID 153356613
tert-butyl N-[[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
CID 68988251
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 55190676
tert-butyl N-[(1-propan-2-ylazetidin-2-yl)methyl]carbamate;(1-propan-2-ylazetidin-2-yl)methanamine;dihydrochloride
CID 164953518
1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 62124442
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate (CID 162353304) is tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate is C[C@@H](N)c1cc(F)ccc1N1CCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate?
The InChIKey is CSXMAHWEEBMQBY-JTDNENJMSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-11(19)14-9-12(18)5-6-15(14)21-8-7-13(21)10-20-16(22)23-17(2,3)4/h5-6,9,11,13H,7-8,10,19H2,1-4H3,(H,20,22)/t11-,13?/m1/s1.
What are the key properties of tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate has a molecular weight of 323.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate is sourced from PubChem (CID 162353304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).