N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride

C21H24ClF3N2O2 — CID 120884853

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C21H23F3N2O2.ClH/c22-21(23,24)28-19-9-5-4-8-16(19)17-14-18(17)20(27)26(13-11-25)12-10-15-6-2-1-3-7-15;/h1-9,17-18H,10-14,25H2;1H
InChIKeyOEADHKPAWJYFNS-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.14
Rot. Bonds8

About N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120884853) has the molecular formula C21H24ClF3N2O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID120884853
Molecular FormulaC21H24ClF3N2O2
Molecular Weight428.88 g/mol
Exact Mass428.15
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C21H23F3N2O2.ClH/c22-21(23,24)28-19-9-5-4-8-16(19)17-14-18(17)20(27)26(13-11-25)12-10-15-6-2-1-3-7-15;/h1-9,17-18H,10-14,25H2;1H
InChIKeyOEADHKPAWJYFNS-UHFFFAOYSA-N
XLogP4.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-[methyl-[(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686663
3-[methyl-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686690
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 111596715
2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119954652
2-[oxan-4-yl-[(1R,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 125151976
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
N-(2-aminoethyl)-2,2-difluoro-2-phenyl-N-(2-phenylethyl)acetamide
CID 120885258
2-methyl-5-[[methyl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
CID 119221844
N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832857
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 120884853) is N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)C1CC1c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is OEADHKPAWJYFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2.ClH/c22-21(23,24)28-19-9-5-4-8-16(19)17-14-18(17)20(27)26(13-11-25)12-10-15-6-2-1-3-7-15;/h1-9,17-18H,10-14,25H2;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 428.88 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120884853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).