N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide

C17H23F3N2O2 — CID 119611197

IUPACN-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)NC1CCCCC1CN
InChIInChI=1S/C17H23F3N2O2/c1-11(16(23)22-14-8-4-2-6-12(14)10-21)24-15-9-5-3-7-13(15)17(18,19)20/h3,5,7,9,11-12,14H,2,4,6,8,10,21H2,1H3,(H,22,23)
InChIKeyZHPODJWDTFGBJZ-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide

N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 119611197) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID119611197
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)NC1CCCCC1CN
InChIInChI=1S/C17H23F3N2O2/c1-11(16(23)22-14-8-4-2-6-12(14)10-21)24-15-9-5-3-7-13(15)17(18,19)20/h3,5,7,9,11-12,14H,2,4,6,8,10,21H2,1H3,(H,22,23)
InChIKeyZHPODJWDTFGBJZ-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 119611197) is N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide is CC(Oc1ccccc1C(F)(F)F)C(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is ZHPODJWDTFGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11(16(23)22-14-8-4-2-6-12(14)10-21)24-15-9-5-3-7-13(15)17(18,19)20/h3,5,7,9,11-12,14H,2,4,6,8,10,21H2,1H3,(H,22,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 344.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 119611197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).