(4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine

C13H19FN2 — CID 9168755

IUPAC(4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCCN(CC)[C@H]1CNCc2cccc(F)c21
InChIInChI=1S/C13H19FN2/c1-3-16(4-2)12-9-15-8-10-6-5-7-11(14)13(10)12/h5-7,12,15H,3-4,8-9H2,1-2H3/t12-/m0/s1
InChIKeyOSLLIUFUAWHDCF-LBPRGKRZSA-N
MW222.31 g/mol
LogP2.31
Rot. Bonds3

About (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine

(4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 9168755) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound Name(4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID9168755
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCCN(CC)[C@H]1CNCc2cccc(F)c21
InChIInChI=1S/C13H19FN2/c1-3-16(4-2)12-9-15-8-10-6-5-7-11(14)13(10)12/h5-7,12,15H,3-4,8-9H2,1-2H3/t12-/m0/s1
InChIKeyOSLLIUFUAWHDCF-LBPRGKRZSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168750
(4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168734
(4R)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168642
(4R)-4-N,4-N-diethyl-7-N,7-N-dimethyl-1,2,3,4-tetrahydroisoquinoline-4,7-diamine
CID 9170136
(4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9168791
(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9168839
N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66181429
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63982759
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine
CID 65262124
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 114935408
(2R)-2-ethyl-7-fluoro-2,3,4,5-tetrahydrobenzo[h][1,4]benzoxazepine
CID 155730634

Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 9168755) is (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine is CCN(CC)[C@H]1CNCc2cccc(F)c21.
What is the InChIKey of (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is OSLLIUFUAWHDCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-16(4-2)12-9-15-8-10-6-5-7-11(14)13(10)12/h5-7,12,15H,3-4,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine?
(4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 222.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 9168755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).