tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate

C15H23FN2O2 — CID 103387299

IUPACtert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
SMILESCc1cc(F)ccc1NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-10-8-12(16)6-7-13(10)18-11(2)9-17-14(19)20-15(3,4)5/h6-8,11,18H,9H2,1-5H3,(H,17,19)
InChIKeyKNMACZFKDQJACD-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.46
Rot. Bonds4

About tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate

tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate (PubChem CID 103387299) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
PubChem CID103387299
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Nametert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
SMILESCc1cc(F)ccc1NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-10-8-12(16)6-7-13(10)18-11(2)9-17-14(19)20-15(3,4)5/h6-8,11,18H,9H2,1-5H3,(H,17,19)
InChIKeyKNMACZFKDQJACD-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-bromo-5-fluoroanilino)propyl]carbamate
CID 107632654
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683
methyl 4-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]benzoate
CID 103388774
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
tert-butyl N-[2-(2,3-dimethylanilino)propyl]carbamate
CID 103387317
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
CID 103387276
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
methyl 4-fluoro-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]benzoate
CID 103388148
tert-butyl N-[2-(5-cyano-3-fluoro-2-methylanilino)propyl]carbamate
CID 103388659
3-(4-fluoro-2-methylanilino)butanoic acid
CID 43536774
tert-butyl N-[2-(3-bromo-4-methylanilino)propyl]carbamate
CID 103389943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate (CID 103387299) is tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate is Cc1cc(F)ccc1NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate?
The InChIKey is KNMACZFKDQJACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10-8-12(16)6-7-13(10)18-11(2)9-17-14(19)20-15(3,4)5/h6-8,11,18H,9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate?
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate has a molecular weight of 282.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate is sourced from PubChem (CID 103387299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).