tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate

C14H19F3N2O3 — CID 67361421

IUPACtert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate
SMILESCCOc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O3/c1-5-21-11-7-10(19-12(20)22-13(2,3)4)9(18)6-8(11)14(15,16)17/h6-7H,5,18H2,1-4H3,(H,19,20)
InChIKeyUXKVDHBWXZINNK-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.03
Rot. Bonds3

About tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate

tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate (PubChem CID 67361421) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate
PubChem CID67361421
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Nametert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate
SMILESCCOc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O3/c1-5-21-11-7-10(19-12(20)22-13(2,3)4)9(18)6-8(11)14(15,16)17/h6-7H,5,18H2,1-4H3,(H,19,20)
InChIKeyUXKVDHBWXZINNK-UHFFFAOYSA-N
XLogP4.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-amino-5-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]carbamate
CID 69486686
tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate
CID 162534713
tert-butyl N-[2-amino-5-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 69487918
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-[4-(1-ethoxyethenyl)-2-(trifluoromethyl)phenyl]carbamate
CID 164842670
tert-butyl N-[5-ethoxy-2-[[3-[3-(6-ethyl-3-pyridinyl)phenyl]-3-oxopropanoyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 86589356
1-[4-amino-5-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171026594
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
tert-butyl N-(4-chloro-5-ethoxy-2-nitrophenyl)carbamate
CID 69489069
tert-butyl N-[4-(1-propoxyethenyl)-2-(trifluoromethyl)phenyl]carbamate
CID 167066827
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
CID 86767458
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate (CID 67361421) is tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate is CCOc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is UXKVDHBWXZINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-5-21-11-7-10(19-12(20)22-13(2,3)4)9(18)6-8(11)14(15,16)17/h6-7H,5,18H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate?
tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 320.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 67361421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).