(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol

C13H19NO — CID 83956657

IUPAC(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
SMILESCCN1CCc2cc(CO)ccc2C1C
InChIInChI=1S/C13H19NO/c1-3-14-7-6-12-8-11(9-15)4-5-13(12)10(14)2/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyFPGZBNGWZZBFKU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.12
Rot. Bonds2

About (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol

(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol (PubChem CID 83956657) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
PubChem CID83956657
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
SMILESCCN1CCc2cc(CO)ccc2C1C
InChIInChI=1S/C13H19NO/c1-3-14-7-6-12-8-11(9-15)4-5-13(12)10(14)2/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyFPGZBNGWZZBFKU-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methyl]ethanamine
CID 112721623
6-(hydroxymethyl)-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline-1-carbaldehyde
CID 174885336
1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
CID 112721605
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
CID 139381518
1,2-diethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721608
1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one
CID 20608520
2-(hydroxymethyl)-5-[[6-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
CID 58202465
1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956705
4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721612
2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline
CID 83956680
(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
8-(hydroxymethyl)-3-(5-phenylpentyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 140904779

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol?
The IUPAC name of (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol (CID 83956657) is (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol.
What is the SMILES notation for (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol?
The canonical SMILES for (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol is CCN1CCc2cc(CO)ccc2C1C.
What is the InChIKey of (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol?
The InChIKey is FPGZBNGWZZBFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14-7-6-12-8-11(9-15)4-5-13(12)10(14)2/h4-5,8,10,15H,3,6-7,9H2,1-2H3.
What are the key properties of (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol?
(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol has a molecular weight of 205.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol is sourced from PubChem (CID 83956657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).