[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate

C14H19F3N2O2 — CID 13394779

IUPAC[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate
SMILESCCN(OC(=O)NC)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-4-19(21-13(20)18-3)10(2)8-11-6-5-7-12(9-11)14(15,16)17/h5-7,9-10H,4,8H2,1-3H3,(H,18,20)
InChIKeyTVBMUKOENJHCQD-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.23
Rot. Bonds5

About [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate

[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate (PubChem CID 13394779) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate.

Molecular Properties

Compound Name[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate
PubChem CID13394779
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate
SMILESCCN(OC(=O)NC)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-4-19(21-13(20)18-3)10(2)8-11-6-5-7-12(9-11)14(15,16)17/h5-7,9-10H,4,8H2,1-3H3,(H,18,20)
InChIKeyTVBMUKOENJHCQD-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate?
The IUPAC name of [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate (CID 13394779) is [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate.
What is the SMILES notation for [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate?
The canonical SMILES for [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate is CCN(OC(=O)NC)C(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate?
The InChIKey is TVBMUKOENJHCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-4-19(21-13(20)18-3)10(2)8-11-6-5-7-12(9-11)14(15,16)17/h5-7,9-10H,4,8H2,1-3H3,(H,18,20).
What are the key properties of [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate?
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate has a molecular weight of 304.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] N-methylcarbamate is sourced from PubChem (CID 13394779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).