tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate

C17H27FN2O3 — CID 107715517

IUPACtert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
SMILESCC(CCNC(C)c1ccc(O)cc1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27FN2O3/c1-11(20-16(22)23-17(3,4)5)8-9-19-12(2)14-7-6-13(21)10-15(14)18/h6-7,10-12,19,21H,8-9H2,1-5H3,(H,20,22)
InChIKeyVJLHXDQOEFZOTQ-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.49
Rot. Bonds6

About tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate

tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate (PubChem CID 107715517) has the molecular formula C17H27FN2O3 and a molecular weight of 326.41 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
PubChem CID107715517
Molecular FormulaC17H27FN2O3
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
SMILESCC(CCNC(C)c1ccc(O)cc1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H27FN2O3/c1-11(20-16(22)23-17(3,4)5)8-9-19-12(2)14-7-6-13(21)10-15(14)18/h6-7,10-12,19,21H,8-9H2,1-5H3,(H,20,22)
InChIKeyVJLHXDQOEFZOTQ-UHFFFAOYSA-N
XLogP3.49
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
tert-butyl N-[4-[(4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 102809694
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propanoic acid
CID 107247028
tert-butyl N-[1-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 107250497
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
[3-fluoro-4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]boronic acid
CID 70851199
tert-butyl N-[4-(6,6,6-trifluorohexan-2-ylamino)butan-2-yl]carbamate
CID 104925089
tert-butyl N-[3-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 9225218

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate (CID 107715517) is tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate is CC(CCNC(C)c1ccc(O)cc1F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate?
The InChIKey is VJLHXDQOEFZOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O3/c1-11(20-16(22)23-17(3,4)5)8-9-19-12(2)14-7-6-13(21)10-15(14)18/h6-7,10-12,19,21H,8-9H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate?
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate has a molecular weight of 326.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate is sourced from PubChem (CID 107715517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).