tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate

C16H25FN2O2 — CID 103390485

IUPACtert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2O2/c1-11(10-18-15(20)21-16(3,4)5)19-12(2)13-7-6-8-14(17)9-13/h6-9,11-12,19H,10H2,1-5H3,(H,18,20)/t11?,12-/m1/s1
InChIKeyROQGMDRRYXPOOI-PIJUOVFKSA-N
MW296.39 g/mol
LogP3.39
Rot. Bonds5

About tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate

tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate (PubChem CID 103390485) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
PubChem CID103390485
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Nametert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2O2/c1-11(10-18-15(20)21-16(3,4)5)19-12(2)13-7-6-8-14(17)9-13/h6-9,11-12,19H,10H2,1-5H3,(H,18,20)/t11?,12-/m1/s1
InChIKeyROQGMDRRYXPOOI-PIJUOVFKSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
CID 3217175
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tert-Butyl Benzylcarbamate
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tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(3-fluorophenyl)ethyl]carbamate
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tert-butyl N-[(S)-[(cyanomethyl)carbamoyl](phenyl)methyl]carbamate
CID 11659287
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(4-fluorophenyl)ethyl]carbamate
CID 11709547
Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
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tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
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(1-Hydroxycarbamoylmethyl-2-phenylethyl)carbamic acidtert-butyl ester
CID 44418815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate (CID 103390485) is tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)N[C@H](C)c1cccc(F)c1.
What is the InChIKey of tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate?
The InChIKey is ROQGMDRRYXPOOI-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11(10-18-15(20)21-16(3,4)5)19-12(2)13-7-6-8-14(17)9-13/h6-9,11-12,19H,10H2,1-5H3,(H,18,20)/t11?,12-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate?
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate has a molecular weight of 296.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate is sourced from PubChem (CID 103390485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).