N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide

C14H19F3N2O2 — CID 107493616

IUPACN-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCOc1cccc(C(=O)N(CCN)CC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-2-8-21-12-5-3-4-11(9-12)13(20)19(7-6-18)10-14(15,16)17/h3-5,9H,2,6-8,10,18H2,1H3
InChIKeyYWQUCHDZCCOUCZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.44
Rot. Bonds7

About N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107493616) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107493616
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCOc1cccc(C(=O)N(CCN)CC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-2-8-21-12-5-3-4-11(9-12)13(20)19(7-6-18)10-14(15,16)17/h3-5,9H,2,6-8,10,18H2,1H3
InChIKeyYWQUCHDZCCOUCZ-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
CID 62919665
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
CID 62921386
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide
CID 107493646
3-propoxybenzamide
CID 22311435
N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
CID 54789581
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
3-[2-(4-chlorophenoxy)ethoxy]-N,N-diethylbenzamide
CID 13387018
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
2-(diethylamino)ethyl 3-propoxybenzoate
CID 175666282

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107493616) is N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide is CCCOc1cccc(C(=O)N(CCN)CC(F)(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is YWQUCHDZCCOUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-8-21-12-5-3-4-11(9-12)13(20)19(7-6-18)10-14(15,16)17/h3-5,9H,2,6-8,10,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107493616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).