N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride

C14H20ClF3N2O — CID 119408524

IUPACN-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCCCN)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O.ClH/c1-10(9-13(20)19-8-4-7-18)11-5-2-3-6-12(11)14(15,16)17;/h2-3,5-6,10H,4,7-9,18H2,1H3,(H,19,20);1H
InChIKeyMAJGNQQCDJHQGZ-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.09
Rot. Bonds6

About N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride

N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119408524) has the molecular formula C14H20ClF3N2O and a molecular weight of 324.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119408524
Molecular FormulaC14H20ClF3N2O
Molecular Weight324.77 g/mol
Exact Mass324.12
IUPAC NameN-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCCCN)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O.ClH/c1-10(9-13(20)19-8-4-7-18)11-5-2-3-6-12(11)14(15,16)17;/h2-3,5-6,10H,4,7-9,18H2,1H3,(H,19,20);1H
InChIKeyMAJGNQQCDJHQGZ-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
2-[2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]ethylsulfanyl]acetic acid
CID 119242380
N-(2-aminoethyl)-2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]benzamide
CID 120604289
N-(3-aminopropyl)-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119405227
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119571655
N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide
CID 141089706
3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221373
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119575539
N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119389907
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119408524) is N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride is CC(CC(=O)NCCCN)c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is MAJGNQQCDJHQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O.ClH/c1-10(9-13(20)19-8-4-7-18)11-5-2-3-6-12(11)14(15,16)17;/h2-3,5-6,10H,4,7-9,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 324.77 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119408524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).