tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate

C14H22FN3O2 — CID 102730244

IUPACtert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)Nc1ccccc1F
InChIInChI=1S/C14H22FN3O2/c1-14(2,3)20-13(19)17-9-10(8-16)18-12-7-5-4-6-11(12)15/h4-7,10,18H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyJZSLKRCKHFTAQY-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.09
Rot. Bonds5

About tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate

tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate (PubChem CID 102730244) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate
PubChem CID102730244
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Nametert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)Nc1ccccc1F
InChIInChI=1S/C14H22FN3O2/c1-14(2,3)20-13(19)17-9-10(8-16)18-12-7-5-4-6-11(12)15/h4-7,10,18H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyJZSLKRCKHFTAQY-UHFFFAOYSA-N
XLogP2.09
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-amino-3-(2-fluoro-5-methoxyanilino)butyl]carbamate
CID 102730346
tert-butyl N-[3-amino-2-(4-bromo-3,5-dimethylanilino)propyl]carbamate
CID 107573064
tert-butyl N-[2-[1-(2,6-difluorophenyl)ethylamino]butyl]carbamate
CID 107251177
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
tert-butyl N-[3-amino-2-(3-bromo-4-chloroanilino)propyl]carbamate
CID 102730331
tert-butyl 3-(2-fluoroanilino)propanoate
CID 19023587
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 176716897
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate
CID 84730749
tert-butyl N-[4-amino-3-(2-bromo-5-methylanilino)butyl]carbamate
CID 102730390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate (CID 102730244) is tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate is CC(C)(C)OC(=O)NCC(CN)Nc1ccccc1F.
What is the InChIKey of tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate?
The InChIKey is JZSLKRCKHFTAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-14(2,3)20-13(19)17-9-10(8-16)18-12-7-5-4-6-11(12)15/h4-7,10,18H,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate?
tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate has a molecular weight of 283.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate is sourced from PubChem (CID 102730244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).