(4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate

C20H25FN2O2 — CID 123377912

IUPAC(4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate
SMILESCC(C)(C)N(CCc1cccc(N)c1)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2/c1-20(2,3)23(12-11-15-5-4-6-18(22)13-15)19(24)25-14-16-7-9-17(21)10-8-16/h4-10,13H,11-12,14,22H2,1-3H3
InChIKeyYYICKJOSWSQWGC-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.39
Rot. Bonds5

About (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate

(4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate (PubChem CID 123377912) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate
PubChem CID123377912
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate
SMILESCC(C)(C)N(CCc1cccc(N)c1)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2/c1-20(2,3)23(12-11-15-5-4-6-18(22)13-15)19(24)25-14-16-7-9-17(21)10-8-16/h4-10,13H,11-12,14,22H2,1-3H3
InChIKeyYYICKJOSWSQWGC-UHFFFAOYSA-N
XLogP4.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate?
The IUPAC name of (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate (CID 123377912) is (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate is CC(C)(C)N(CCc1cccc(N)c1)C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate?
The InChIKey is YYICKJOSWSQWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-20(2,3)23(12-11-15-5-4-6-18(22)13-15)19(24)25-14-16-7-9-17(21)10-8-16/h4-10,13H,11-12,14,22H2,1-3H3.
What are the key properties of (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate?
(4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate has a molecular weight of 344.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-[2-(3-aminophenyl)ethyl]-N-tert-butylcarbamate is sourced from PubChem (CID 123377912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).