2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C14H19F3N2O3 — CID 118774344

IUPAC2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cccc(C(=O)N(C)CC(F)(F)F)c1OCCCN
InChIInChI=1S/C14H19F3N2O3/c1-19(9-14(15,16)17)13(20)10-5-3-6-11(21-2)12(10)22-8-4-7-18/h3,5-6H,4,7-9,18H2,1-2H3
InChIKeyZKOIEYNRBAKFJT-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.06
Rot. Bonds7

About 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 118774344) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID118774344
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cccc(C(=O)N(C)CC(F)(F)F)c1OCCCN
InChIInChI=1S/C14H19F3N2O3/c1-19(9-14(15,16)17)13(20)10-5-3-6-11(21-2)12(10)22-8-4-7-18/h3,5-6H,4,7-9,18H2,1-2H3
InChIKeyZKOIEYNRBAKFJT-UHFFFAOYSA-N
XLogP2.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
[2-(3-aminopropoxy)-3-methoxyphenyl]-[(3S)-3-(dimethylamino)piperidin-1-yl]methanone
CID 126433817
N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
CID 107206269
N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide
CID 119652887
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
3-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190588
2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide
CID 118790837
2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide
CID 125170184
4-[2-(3-aminopropoxy)-3-methoxybenzoyl]-1,4-diazepan-2-one
CID 118770092

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 118774344) is 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is COc1cccc(C(=O)N(C)CC(F)(F)F)c1OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ZKOIEYNRBAKFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-19(9-14(15,16)17)13(20)10-5-3-6-11(21-2)12(10)22-8-4-7-18/h3,5-6H,4,7-9,18H2,1-2H3.
What are the key properties of 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 320.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 118774344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).