tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate

C15H21FN2O2 — CID 84811889

IUPACtert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1(N)CC1)c1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-14(2,3)20-13(19)18(10-15(17)8-9-15)12-7-5-4-6-11(12)16/h4-7H,8-10,17H2,1-3H3
InChIKeyDIXYPCIEXXJGLU-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate

tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate (PubChem CID 84811889) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate
PubChem CID84811889
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nametert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1(N)CC1)c1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-14(2,3)20-13(19)18(10-15(17)8-9-15)12-7-5-4-6-11(12)16/h4-7H,8-10,17H2,1-3H3
InChIKeyDIXYPCIEXXJGLU-UHFFFAOYSA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-aminocyclopropyl)ethyl]-N-(2-methylphenyl)carbamate
CID 84814898
tert-butyl N-(2-fluorophenyl)-N-pent-4-ynoylcarbamate
CID 86630250
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054
tert-butyl N-(2-bromophenyl)-N-prop-2-ynylcarbamate
CID 16748153
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]-N-methylcarbamate
CID 116861240
tert-butyl N-(3-fluoro-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 137333153
(5-amino-2-fluorophenyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 154945172
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
CID 79810988

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate (CID 84811889) is tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate is CC(C)(C)OC(=O)N(CC1(N)CC1)c1ccccc1F.
What is the InChIKey of tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate?
The InChIKey is DIXYPCIEXXJGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-14(2,3)20-13(19)18(10-15(17)8-9-15)12-7-5-4-6-11(12)16/h4-7H,8-10,17H2,1-3H3.
What are the key properties of tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate?
tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate has a molecular weight of 280.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-aminocyclopropyl)methyl]-N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 84811889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).