(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide

C16H24FN3O — CID 120880934

IUPAC(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1ccc2c(c1F)CCNC2)N(C)C
InChIInChI=1S/C16H24FN3O/c1-10(2)15(20(3)4)16(21)19-13-6-5-11-9-18-8-7-12(11)14(13)17/h5-6,10,15,18H,7-9H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyKCGKHFBYHHHHBY-OAHLLOKOSA-N
MW293.39 g/mol
LogP2.00
Rot. Bonds4

About (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide

(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide (PubChem CID 120880934) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide
PubChem CID120880934
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1ccc2c(c1F)CCNC2)N(C)C
InChIInChI=1S/C16H24FN3O/c1-10(2)15(20(3)4)16(21)19-13-6-5-11-9-18-8-7-12(11)14(13)17/h5-6,10,15,18H,7-9H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyKCGKHFBYHHHHBY-OAHLLOKOSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylpropanamide;hydrochloride
CID 120883299
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 120883137
2-ethylsulfanyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide;hydrochloride
CID 120883917
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methoxyphenoxy)propanamide
CID 120883970
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methoxyphenyl)propanamide;hydrochloride
CID 120883861
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride
CID 120882617
N-[1-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 120881100
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 120881854
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopropane-1-carboxamide
CID 120881068
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744
2-(1-benzofuran-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883052

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide (CID 120880934) is (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide is CC(C)[C@H](C(=O)Nc1ccc2c(c1F)CCNC2)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide?
The InChIKey is KCGKHFBYHHHHBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-10(2)15(20(3)4)16(21)19-13-6-5-11-9-18-8-7-12(11)14(13)17/h5-6,10,15,18H,7-9H2,1-4H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide?
(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide has a molecular weight of 293.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide is sourced from PubChem (CID 120880934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).