tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate

C17H25FN2O2 — CID 107240614

IUPACtert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate
SMILESCC(Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)C1(C)CC1
InChIInChI=1S/C17H25FN2O2/c1-11(17(5)8-9-17)19-12-6-7-13(18)14(10-12)20-15(21)22-16(2,3)4/h6-7,10-11,19H,8-9H2,1-5H3,(H,20,21)
InChIKeySZQUQOQVMJDLFL-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.77
Rot. Bonds4

About tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate (PubChem CID 107240614) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate
PubChem CID107240614
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate
SMILESCC(Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)C1(C)CC1
InChIInChI=1S/C17H25FN2O2/c1-11(17(5)8-9-17)19-12-6-7-13(18)14(10-12)20-15(21)22-16(2,3)4/h6-7,10-11,19H,8-9H2,1-5H3,(H,20,21)
InChIKeySZQUQOQVMJDLFL-UHFFFAOYSA-N
XLogP4.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
tert-butyl N-[2-fluoro-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]carbamate
CID 107240522
tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117421544
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[2-fluoro-5-[(3-methoxy-2-methylpropyl)amino]phenyl]carbamate
CID 107240693
tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
CID 107240679
tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
CID 107240911
dimethyl (E)-2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]but-2-enedioate
CID 168569555
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117426191
tert-butyl N-[2-fluoro-5-(1H-pyrrol-2-ylmethylamino)phenyl]carbamate
CID 107240582

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate (CID 107240614) is tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate is CC(Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)C1(C)CC1.
What is the InChIKey of tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate?
The InChIKey is SZQUQOQVMJDLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-11(17(5)8-9-17)19-12-6-7-13(18)14(10-12)20-15(21)22-16(2,3)4/h6-7,10-11,19H,8-9H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate?
tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 4.77, 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-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 107240614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).