tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate

C19H23FN2O3 — CID 156901287

IUPACtert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate
SMILESCC(C)(C)OC(=O)NNCc1cc(OCc2ccccc2)ccc1F
InChIInChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-21-12-15-11-16(9-10-17(15)20)24-13-14-7-5-4-6-8-14/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyCKJHYJASJCUWNR-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.93
Rot. Bonds6

About tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate

tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate (PubChem CID 156901287) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate
PubChem CID156901287
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nametert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate
SMILESCC(C)(C)OC(=O)NNCc1cc(OCc2ccccc2)ccc1F
InChIInChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-21-12-15-11-16(9-10-17(15)20)24-13-14-7-5-4-6-8-14/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyCKJHYJASJCUWNR-UHFFFAOYSA-N
XLogP3.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5-chloro-2-fluorophenyl)methylamino]carbamate
CID 107237313
tert-butyl N-[3-(3-benzyl-4-fluorophenoxy)propyl]carbamate
CID 175169261
benzyl N-[[2-fluoro-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 58686438
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873
tert-butyl N-[(4-chloro-3-fluorophenyl)methylamino]carbamate
CID 107237323

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate?
The IUPAC name of tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate (CID 156901287) is tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate?
The canonical SMILES for tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate is CC(C)(C)OC(=O)NNCc1cc(OCc2ccccc2)ccc1F.
What is the InChIKey of tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate?
The InChIKey is CKJHYJASJCUWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-19(2,3)25-18(23)22-21-12-15-11-16(9-10-17(15)20)24-13-14-7-5-4-6-8-14/h4-11,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate?
tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate has a molecular weight of 346.40 g/mol, XLogP of 3.93, 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-phenylmethoxyphenyl)methylamino]carbamate is sourced from PubChem (CID 156901287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).