tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate

C16H25FN2O3 — CID 107240693

IUPACtert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate
SMILESCOCC(C)CNc1ccc(F)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25FN2O3/c1-11(10-21-5)9-18-12-6-7-13(17)14(8-12)19-15(20)22-16(2,3)4/h6-8,11,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyJZBIJYBEMGQMPY-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.87
Rot. Bonds6

About tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate (PubChem CID 107240693) has the molecular formula C16H25FN2O3 and a molecular weight of 312.39 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate
PubChem CID107240693
Molecular FormulaC16H25FN2O3
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Nametert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate
SMILESCOCC(C)CNc1ccc(F)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25FN2O3/c1-11(10-21-5)9-18-12-6-7-13(17)14(8-12)19-15(20)22-16(2,3)4/h6-8,11,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyJZBIJYBEMGQMPY-UHFFFAOYSA-N
XLogP3.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-[2-methoxy-4-(2-methylbutylamino)phenyl]carbamate
CID 103776035
tert-butyl N-[2-fluoro-5-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240536
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate
CID 107240614
tert-butyl N-[2-fluoro-5-(1H-pyrrol-2-ylmethylamino)phenyl]carbamate
CID 107240582
tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
CID 107240685
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorophenyl]carbamate
CID 107442927
tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 107240673
tert-butyl 3-(methoxycarbonylamino)-7-[(3-methoxy-2-methylpropyl)amino]phenothiazine-10-carboxylate
CID 20702943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate (CID 107240693) is tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate is COCC(C)CNc1ccc(F)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate?
The InChIKey is JZBIJYBEMGQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-11(10-21-5)9-18-12-6-7-13(17)14(8-12)19-15(20)22-16(2,3)4/h6-8,11,18H,9-10H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate?
tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate has a molecular weight of 312.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate is sourced from PubChem (CID 107240693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).