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

C16H26ClFN2O — CID 120500930

IUPAC3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
SMILESCCCN(CCc1cccc(F)c1)C(=O)C(C)C(C)N.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-4-9-19(16(20)12(2)13(3)18)10-8-14-6-5-7-15(17)11-14;/h5-7,11-13H,4,8-10,18H2,1-3H3;1H
InChIKeyGLDLPFFHETUELG-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.01
Rot. Bonds7

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

3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride (PubChem CID 120500930) has the molecular formula C16H26ClFN2O and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
PubChem CID120500930
Molecular FormulaC16H26ClFN2O
Molecular Weight316.85 g/mol
Exact Mass316.17
IUPAC Name3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
SMILESCCCN(CCc1cccc(F)c1)C(=O)C(C)C(C)N.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-4-9-19(16(20)12(2)13(3)18)10-8-14-6-5-7-15(17)11-14;/h5-7,11-13H,4,8-10,18H2,1-3H3;1H
InChIKeyGLDLPFFHETUELG-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.01
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
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
CID 119325475
2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
CID 119786850
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
CID 119325474
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide
CID 146101000
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
N,N-diethyl-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43420356
2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 111477587
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404
(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
CID 61173559

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride (CID 120500930) is 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride is CCCN(CCc1cccc(F)c1)C(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride?
The InChIKey is GLDLPFFHETUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O.ClH/c1-4-9-19(16(20)12(2)13(3)18)10-8-14-6-5-7-15(17)11-14;/h5-7,11-13H,4,8-10,18H2,1-3H3;1H.
What are the key properties of 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride?
3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 120500930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).