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

C16H21F3N2O2 — CID 119604035

IUPACN-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
SMILESNCC1CCCC1NC(=O)CCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)23-14-7-2-1-4-11(14)8-9-15(22)21-13-6-3-5-12(13)10-20/h1-2,4,7,12-13H,3,5-6,8-10,20H2,(H,21,22)
InChIKeyBMDCATVZKLXIGG-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.76
Rot. Bonds6

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

N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 119604035) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID119604035
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
SMILESNCC1CCCC1NC(=O)CCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)23-14-7-2-1-4-11(14)8-9-15(22)21-13-6-3-5-12(13)10-20/h1-2,4,7,12-13H,3,5-6,8-10,20H2,(H,21,22)
InChIKeyBMDCATVZKLXIGG-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119611618
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
N-piperidin-4-yl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119389217
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
CID 119603939
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119571159
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide (CID 119604035) is N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide is NCC1CCCC1NC(=O)CCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is BMDCATVZKLXIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)23-14-7-2-1-4-11(14)8-9-15(22)21-13-6-3-5-12(13)10-20/h1-2,4,7,12-13H,3,5-6,8-10,20H2,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 119604035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).