2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride

C17H28ClFN2O — CID 119786850

IUPAC2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
SMILESCCCN(CCc1cccc(F)c1)C(=O)C(C)(N)CCC.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-4-10-17(3,19)16(21)20(11-5-2)12-9-14-7-6-8-15(18)13-14;/h6-8,13H,4-5,9-12,19H2,1-3H3;1H
InChIKeyDIBAOTIIWNLDTD-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.55
Rot. Bonds8

About 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride

2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride (PubChem CID 119786850) has the molecular formula C17H28ClFN2O and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
PubChem CID119786850
Molecular FormulaC17H28ClFN2O
Molecular Weight330.88 g/mol
Exact Mass330.19
IUPAC Name2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
SMILESCCCN(CCc1cccc(F)c1)C(=O)C(C)(N)CCC.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-4-10-17(3,19)16(21)20(11-5-2)12-9-14-7-6-8-15(18)13-14;/h6-8,13H,4-5,9-12,19H2,1-3H3;1H
InChIKeyDIBAOTIIWNLDTD-UHFFFAOYSA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119786800
3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
CID 120500930
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
CID 119325475
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
CID 119325474
4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
CID 115157141
(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide
CID 146101000
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
2-amino-N-benzyl-N-ethyl-2-methylpentanamide;hydrochloride
CID 119674328
2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442
2-amino-N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 79805499
2-amino-N-benzyl-N-ethyl-2-methylpentanamide
CID 60846660
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride (CID 119786850) is 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride is CCCN(CCc1cccc(F)c1)C(=O)C(C)(N)CCC.Cl.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride?
The InChIKey is DIBAOTIIWNLDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O.ClH/c1-4-10-17(3,19)16(21)20(11-5-2)12-9-14-7-6-8-15(18)13-14;/h6-8,13H,4-5,9-12,19H2,1-3H3;1H.
What are the key properties of 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride?
2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride is sourced from PubChem (CID 119786850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).