1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

C14H22N2O — CID 105495017

IUPAC1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCC(C)CNCC1NCCc2cc(O)ccc21
InChIInChI=1S/C14H22N2O/c1-10(2)8-15-9-14-13-4-3-12(17)7-11(13)5-6-16-14/h3-4,7,10,14-17H,5-6,8-9H2,1-2H3
InChIKeyJZYPSYNCCBRFGL-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.82
Rot. Bonds4

About 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol

1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 105495017) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID105495017
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCC(C)CNCC1NCCc2cc(O)ccc21
InChIInChI=1S/C14H22N2O/c1-10(2)8-15-9-14-13-4-3-12(17)7-11(13)5-6-16-14/h3-4,7,10,14-17H,5-6,8-9H2,1-2H3
InChIKeyJZYPSYNCCBRFGL-UHFFFAOYSA-N
XLogP1.82
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol with MolForge

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Related Compounds

(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
N-[(6-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
CID 105482674
N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine
CID 105479508
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
(1S)-1-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10118674
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 119086128
4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96995480
1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778678
N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
CID 105482669
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 145379970
methyl 2-(6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105474196

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 105495017) is 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol is CC(C)CNCC1NCCc2cc(O)ccc21.
What is the InChIKey of 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is JZYPSYNCCBRFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)8-15-9-14-13-4-3-12(17)7-11(13)5-6-16-14/h3-4,7,10,14-17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 234.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 105495017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).