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

C16H25FN2O3 — CID 107248495

IUPACtert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C16H25FN2O3/c1-10(9-18-15(21)22-16(3,4)5)19-11(2)13-7-6-12(17)8-14(13)20/h6-8,10-11,19-20H,9H2,1-5H3,(H,18,21)
InChIKeyOZIQXJSTGMAOHJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.10
Rot. Bonds5

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

tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate (PubChem CID 107248495) has the molecular formula C16H25FN2O3 and a molecular weight of 312.39 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
PubChem CID107248495
Molecular FormulaC16H25FN2O3
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Nametert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C16H25FN2O3/c1-10(9-18-15(21)22-16(3,4)5)19-11(2)13-7-6-12(17)8-14(13)20/h6-8,10-11,19-20H,9H2,1-5H3,(H,18,21)
InChIKeyOZIQXJSTGMAOHJ-UHFFFAOYSA-N
XLogP3.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
CID 107251325
tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
CID 107248228
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
5-fluoro-2-[1-(pent-4-yn-2-ylamino)ethyl]phenol
CID 104582819
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate (CID 107248495) is tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC(C)c1ccc(F)cc1O.
What is the InChIKey of tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate?
The InChIKey is OZIQXJSTGMAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-10(9-18-15(21)22-16(3,4)5)19-11(2)13-7-6-12(17)8-14(13)20/h6-8,10-11,19-20H,9H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate has a molecular weight of 312.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107248495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).