N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide

C15H21F3N2O — CID 63754755

IUPACN-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide
SMILESCCC(CC)N(CCN)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-3-13(4-2)20(9-8-19)14(21)11-6-5-7-12(10-11)15(16,17)18/h5-7,10,13H,3-4,8-9,19H2,1-2H3
InChIKeyADPQHDIJLNPVOF-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.29
Rot. Bonds6

About N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide

N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide (PubChem CID 63754755) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide
PubChem CID63754755
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide
SMILESCCC(CC)N(CCN)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-3-13(4-2)20(9-8-19)14(21)11-6-5-7-12(10-11)15(16,17)18/h5-7,10,13H,3-4,8-9,19H2,1-2H3
InChIKeyADPQHDIJLNPVOF-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
(2S)-2-[3-(trifluoromethyl)benzoyl]butanoic acid
CID 95048187
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
N-(2-bromoethyl)-3-(dimethylamino)-N-pentan-3-ylbenzamide
CID 80670587
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide (CID 63754755) is N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide is CCC(CC)N(CCN)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide?
The InChIKey is ADPQHDIJLNPVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-13(4-2)20(9-8-19)14(21)11-6-5-7-12(10-11)15(16,17)18/h5-7,10,13H,3-4,8-9,19H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide?
N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide has a molecular weight of 302.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63754755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).