N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride

C15H24ClFN2O — CID 119652327

IUPACN-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CCc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-15(2,10-17)11-18(3)14(19)9-6-12-4-7-13(16)8-5-12;/h4-5,7-8H,6,9-11,17H2,1-3H3;1H
InChIKeyLLEXSZSIQSNVSN-UHFFFAOYSA-N
MW302.82 g/mol
LogP2.62
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride (PubChem CID 119652327) has the molecular formula C15H24ClFN2O and a molecular weight of 302.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
PubChem CID119652327
Molecular FormulaC15H24ClFN2O
Molecular Weight302.82 g/mol
Exact Mass302.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CCc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-15(2,10-17)11-18(3)14(19)9-6-12-4-7-13(16)8-5-12;/h4-5,7-8H,6,9-11,17H2,1-3H3;1H
InChIKeyLLEXSZSIQSNVSN-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)-N-methylpropanamide;hydrochloride
CID 119654388
N-(3-amino-2,2-dimethylpropyl)-3-(4-chlorophenyl)-N-methylpropanamide;hydrochloride
CID 119653075
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 119654096
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide
CID 115272555
3-(4-ethylphenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291504
N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119652390
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride (CID 119652327) is N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride is CN(CC(C)(C)CN)C(=O)CCc1ccc(F)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride?
The InChIKey is LLEXSZSIQSNVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O.ClH/c1-15(2,10-17)11-18(3)14(19)9-6-12-4-7-13(16)8-5-12;/h4-5,7-8H,6,9-11,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride has a molecular weight of 302.82 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119652327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).