N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide

C16H23F3N2O2 — CID 119570702

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCCC(CC)(CN)NC(=O)C(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-4-15(5-2,10-20)21-14(22)11(3)23-13-9-7-6-8-12(13)16(17,18)19/h6-9,11H,4-5,10,20H2,1-3H3,(H,21,22)
InChIKeyHGICADWPEBFKDH-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.11
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide

N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 119570702) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID119570702
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESCCC(CC)(CN)NC(=O)C(C)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-4-15(5-2,10-20)21-14(22)11(3)23-13-9-7-6-8-12(13)16(17,18)19/h6-9,11H,4-5,10,20H2,1-3H3,(H,21,22)
InChIKeyHGICADWPEBFKDH-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119570150
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119667198
2-(2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520461
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119611197
N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119569334
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119571655
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenoxy)propanamide;hydrochloride
CID 119571125
N-[3-(aminomethyl)pentan-3-yl]-2-(4-methylsulfanylphenoxy)propanamide
CID 119569465
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 119570702) is N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide is CCC(CC)(CN)NC(=O)C(C)Oc1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is HGICADWPEBFKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-4-15(5-2,10-20)21-14(22)11(3)23-13-9-7-6-8-12(13)16(17,18)19/h6-9,11H,4-5,10,20H2,1-3H3,(H,21,22).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 332.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 119570702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).