(3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol

C12H18N2O3 — CID 95241563

IUPAC(3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCOc1cc2c(c(OC)c1)[C@@H](O)[C@H](CN)CN2
InChIInChI=1S/C12H18N2O3/c1-16-8-3-9-11(10(4-8)17-2)12(15)7(5-13)6-14-9/h3-4,7,12,14-15H,5-6,13H2,1-2H3/t7-,12+/m1/s1
InChIKeyBAOYMHOOASNSOB-KRTXAFLBSA-N
MW238.29 g/mol
LogP0.74
Rot. Bonds3

About (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol

(3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol (PubChem CID 95241563) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
PubChem CID95241563
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCOc1cc2c(c(OC)c1)[C@@H](O)[C@H](CN)CN2
InChIInChI=1S/C12H18N2O3/c1-16-8-3-9-11(10(4-8)17-2)12(15)7(5-13)6-14-9/h3-4,7,12,14-15H,5-6,13H2,1-2H3/t7-,12+/m1/s1
InChIKeyBAOYMHOOASNSOB-KRTXAFLBSA-N
XLogP0.74
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol with MolForge

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Related Compounds

(3S,4R)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 95241564
(3R,4R)-3-(aminomethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 99981473
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159287
4-(aminomethyl)-6,8-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 82129525
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
2-[1-(aminomethyl)-5,7-dimethoxy-1,3-dihydroisoindol-2-yl]phenol
CID 82544563
2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
CID 84628399
5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687584
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729
(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 99981441

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The IUPAC name of (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol (CID 95241563) is (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol.
What is the SMILES notation for (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The canonical SMILES for (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol is COc1cc2c(c(OC)c1)[C@@H](O)[C@H](CN)CN2.
What is the InChIKey of (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The InChIKey is BAOYMHOOASNSOB-KRTXAFLBSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-8-3-9-11(10(4-8)17-2)12(15)7(5-13)6-14-9/h3-4,7,12,14-15H,5-6,13H2,1-2H3/t7-,12+/m1/s1.
What are the key properties of (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol?
(3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol has a molecular weight of 238.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol is sourced from PubChem (CID 95241563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).