N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide

C16H23F3N2O2 — CID 119571159

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-3-15(4-2,11-20)21-14(22)10-9-12-7-5-6-8-13(12)23-16(17,18)19/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,22)
InChIKeyPFRTWINRDRJGFW-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.15
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 119571159) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID119571159
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-3-15(4-2,11-20)21-14(22)10-9-12-7-5-6-8-13(12)23-16(17,18)19/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,22)
InChIKeyPFRTWINRDRJGFW-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide
CID 119571102
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119604035
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
2-[2-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242544
N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529048
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide (CID 119571159) is N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide is CCC(CC)(CN)NC(=O)CCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is PFRTWINRDRJGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-3-15(4-2,11-20)21-14(22)10-9-12-7-5-6-8-13(12)23-16(17,18)19/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 332.37 g/mol, XLogP of 3.15, 8 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]-3-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 119571159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).