2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol

C19H23NO — CID 43329134

IUPAC2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
SMILESCc1cc(CCC2CCc3ccccc3N2)cc(C)c1O
InChIInChI=1S/C19H23NO/c1-13-11-15(12-14(2)19(13)21)7-9-17-10-8-16-5-3-4-6-18(16)20-17/h3-6,11-12,17,20-21H,7-10H2,1-2H3
InChIKeyQDBHIUHTOYMDKD-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.37
Rot. Bonds3

About 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol

2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol (PubChem CID 43329134) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
PubChem CID43329134
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
SMILESCc1cc(CCC2CCc3ccccc3N2)cc(C)c1O
InChIInChI=1S/C19H23NO/c1-13-11-15(12-14(2)19(13)21)7-9-17-10-8-16-5-3-4-6-18(16)20-17/h3-6,11-12,17,20-21H,7-10H2,1-2H3
InChIKeyQDBHIUHTOYMDKD-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2,4,6-trimethyl-N-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]aniline
CID 138966764
2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 65096294
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955508
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
CID 106779766
2-[2-(1-propylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 79761911
ethane;4-methoxy-2,6-dimethylbenzenethiol;1,2,3,4-tetrahydroquinolin-2-ylmethanol
CID 143863960
2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 66117014
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104451
(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
CID 143997720

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol (CID 43329134) is 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol is Cc1cc(CCC2CCc3ccccc3N2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol?
The InChIKey is QDBHIUHTOYMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-11-15(12-14(2)19(13)21)7-9-17-10-8-16-5-3-4-6-18(16)20-17/h3-6,11-12,17,20-21H,7-10H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol?
2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol is sourced from PubChem (CID 43329134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).