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

C14H22N2O — CID 105495024

IUPAC4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCC(C)(C)NCC1CNCc2ccc(O)cc21
InChIInChI=1S/C14H22N2O/c1-14(2,3)16-9-11-8-15-7-10-4-5-12(17)6-13(10)11/h4-6,11,15-17H,7-9H2,1-3H3
InChIKeyBFEMNXTUYFNNQF-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.97
Rot. Bonds2

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

4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 105495024) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID105495024
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCC(C)(C)NCC1CNCc2ccc(O)cc21
InChIInChI=1S/C14H22N2O/c1-14(2,3)16-9-11-8-15-7-10-4-5-12(17)6-13(10)11/h4-6,11,15-17H,7-9H2,1-3H3
InChIKeyBFEMNXTUYFNNQF-UHFFFAOYSA-N
XLogP1.97
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
CID 65262461
4-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 105495022
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine
CID 105498073
(4S)-6-chloro-4-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 86325815
2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine
CID 83144626
3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 105458052
2,3-ditert-butyl-2,3-dihydro-1H-inden-5-ol
CID 143952419
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262511
2,3-dihydro-1H-isoindol-5-ol;methanol;yttrium
CID 166486218
N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 65262510
3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
CID 84733032
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 105495024) is 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol is CC(C)(C)NCC1CNCc2ccc(O)cc21.
What is the InChIKey of 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is BFEMNXTUYFNNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)16-9-11-8-15-7-10-4-5-12(17)6-13(10)11/h4-6,11,15-17H,7-9H2,1-3H3.
What are the key properties of 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol?
4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 234.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 105495024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).