N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide

C17H23F3N2O2 — CID 119611618

IUPACN-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESNCC1CCCCC1NC(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)24-14-8-5-12(6-9-14)7-10-16(23)22-15-4-2-1-3-13(15)11-21/h5-6,8-9,13,15H,1-4,7,10-11,21H2,(H,22,23)
InChIKeyDGLOIVXPRGIGIB-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide

N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 119611618) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID119611618
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESNCC1CCCCC1NC(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)24-14-8-5-12(6-9-14)7-10-16(23)22-15-4-2-1-3-13(15)11-21/h5-6,8-9,13,15H,1-4,7,10-11,21H2,(H,22,23)
InChIKeyDGLOIVXPRGIGIB-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119604035
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 124889748
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119611009
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 119611391
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-[2-(aminomethyl)cyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119609699
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
CID 119610887

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide (CID 119611618) is N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide is NCC1CCCCC1NC(=O)CCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is DGLOIVXPRGIGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c18-17(19,20)24-14-8-5-12(6-9-14)7-10-16(23)22-15-4-2-1-3-13(15)11-21/h5-6,8-9,13,15H,1-4,7,10-11,21H2,(H,22,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 119611618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).