(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol

C12H18N2O2 — CID 99981441

IUPAC(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCCOc1cccc2c1NC[C@@H](CN)[C@H]2O
InChIInChI=1S/C12H18N2O2/c1-2-16-10-5-3-4-9-11(10)14-7-8(6-13)12(9)15/h3-5,8,12,14-15H,2,6-7,13H2,1H3/t8-,12-/m1/s1
InChIKeyXRPXBHTXPHARQS-PRHODGIISA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds3

About (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol

(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol (PubChem CID 99981441) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol
PubChem CID99981441
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCCOc1cccc2c1NC[C@@H](CN)[C@H]2O
InChIInChI=1S/C12H18N2O2/c1-2-16-10-5-3-4-9-11(10)14-7-8(6-13)12(9)15/h3-5,8,12,14-15H,2,6-7,13H2,1H3/t8-,12-/m1/s1
InChIKeyXRPXBHTXPHARQS-PRHODGIISA-N
XLogP1.12
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
5-ethoxy-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 105356216
(3R,4R)-3-(aminomethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 99981473
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
2-(7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276698
9-ethoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 83818191
1-tert-butyl-5-ethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689004
4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 113393246
2-ethoxy-6-[(2S)-piperazin-2-yl]phenol
CID 171194105
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The IUPAC name of (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol (CID 99981441) is (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol.
What is the SMILES notation for (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The canonical SMILES for (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol is CCOc1cccc2c1NC[C@@H](CN)[C@H]2O.
What is the InChIKey of (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol?
The InChIKey is XRPXBHTXPHARQS-PRHODGIISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-16-10-5-3-4-9-11(10)14-7-8(6-13)12(9)15/h3-5,8,12,14-15H,2,6-7,13H2,1H3/t8-,12-/m1/s1.
What are the key properties of (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol?
(3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol has a molecular weight of 222.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(aminomethyl)-8-ethoxy-1,2,3,4-tetrahydroquinolin-4-ol is sourced from PubChem (CID 99981441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).