N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide

C14H19F3N2O — CID 43136696

IUPACN-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
SMILESCC(C)N(CCCN)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10(2)19(9-5-8-18)13(20)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10H,5,8-9,18H2,1-2H3
InChIKeyMWSPEPXVDFMSKK-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.90
Rot. Bonds5

About N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide

N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide (PubChem CID 43136696) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
PubChem CID43136696
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
SMILESCC(C)N(CCCN)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10(2)19(9-5-8-18)13(20)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10H,5,8-9,18H2,1-2H3
InChIKeyMWSPEPXVDFMSKK-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[propan-2-yl-[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 60830546
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 80656669
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid
CID 60827561
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 43319450
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
4-bromo-N-(3-bromopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 107333532
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
CID 43319284

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide (CID 43136696) is N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide is CC(C)N(CCCN)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The InChIKey is MWSPEPXVDFMSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(2)19(9-5-8-18)13(20)11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,10H,5,8-9,18H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide?
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide has a molecular weight of 288.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 43136696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).