N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine

C13H20F3N3O — CID 142510750

IUPACN-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
SMILESCCCN.NCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O.C3H9N/c11-10(12,13)8-3-1-2-7(6-8)9(16)15-5-4-14;1-2-3-4/h1-3,6H,4-5,14H2,(H,15,16);2-4H2,1H3
InChIKeyHFEOASNRWRXNHE-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.75
Rot. Bonds4

About N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine

N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine (PubChem CID 142510750) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
PubChem CID142510750
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
SMILESCCCN.NCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O.C3H9N/c11-10(12,13)8-3-1-2-7(6-8)9(16)15-5-4-14;1-2-3-4/h1-3,6H,4-5,14H2,(H,15,16);2-4H2,1H3
InChIKeyHFEOASNRWRXNHE-UHFFFAOYSA-N
XLogP1.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
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N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
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N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
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1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
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N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
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N-[2-[(1-amino-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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CID 69170249

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine?
The IUPAC name of N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine (CID 142510750) is N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine.
What is the SMILES notation for N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine?
The canonical SMILES for N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine is CCCN.NCCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine?
The InChIKey is HFEOASNRWRXNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O.C3H9N/c11-10(12,13)8-3-1-2-7(6-8)9(16)15-5-4-14;1-2-3-4/h1-3,6H,4-5,14H2,(H,15,16);2-4H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine?
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine is sourced from PubChem (CID 142510750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).