4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine

C13H17FN2O — CID 9169018

IUPAC4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
SMILESFc1ccc2c(c1)CNC[C@H]2N1CCOCC1
InChIInChI=1S/C13H17FN2O/c14-11-1-2-12-10(7-11)8-15-9-13(12)16-3-5-17-6-4-16/h1-2,7,13,15H,3-6,8-9H2/t13-/m1/s1
InChIKeyNIRXCZLPBYACCW-CYBMUJFWSA-N
MW236.29 g/mol
LogP1.30
Rot. Bonds1

About 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine

4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (PubChem CID 9169018) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
PubChem CID9169018
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
SMILESFc1ccc2c(c1)CNC[C@H]2N1CCOCC1
InChIInChI=1S/C13H17FN2O/c14-11-1-2-12-10(7-11)8-15-9-13(12)16-3-5-17-6-4-16/h1-2,7,13,15H,3-6,8-9H2/t13-/m1/s1
InChIKeyNIRXCZLPBYACCW-CYBMUJFWSA-N
XLogP1.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine with MolForge

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Related Compounds

(4S)-7-fluoro-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169066
(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169081
4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
CID 63939569
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169145
(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170181
(4S)-N,N-diethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170274
(4S)-4-(azepan-1-yl)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170280
(4R)-N,N-dimethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170189
(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669
1-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)-N,N-dimethylmethanamine
CID 105462032
4-(6-fluoro-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275749

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The IUPAC name of 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (CID 9169018) is 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The canonical SMILES for 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine is Fc1ccc2c(c1)CNC[C@H]2N1CCOCC1.
What is the InChIKey of 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The InChIKey is NIRXCZLPBYACCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-1-2-12-10(7-11)8-15-9-13(12)16-3-5-17-6-4-16/h1-2,7,13,15H,3-6,8-9H2/t13-/m1/s1.
What are the key properties of 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine has a molecular weight of 236.29 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine is sourced from PubChem (CID 9169018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).