8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline

C16H26NOP — CID 142738926

IUPAC8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cccc(P(=O)(C(C)C)C(C)C)c2N1
InChIInChI=1S/C16H26NOP/c1-11(2)19(18,12(3)4)15-8-6-7-14-10-9-13(5)17-16(14)15/h6-8,11-13,17H,9-10H2,1-5H3
InChIKeyCPFJAMZCCKMYSR-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.24
Rot. Bonds3

About 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline

8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 142738926) has the molecular formula C16H26NOP and a molecular weight of 279.36 g/mol. Its IUPAC name is 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID142738926
Molecular FormulaC16H26NOP
Molecular Weight279.36 g/mol
Exact Mass279.18
IUPAC Name8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cccc(P(=O)(C(C)C)C(C)C)c2N1
InChIInChI=1S/C16H26NOP/c1-11(2)19(18,12(3)4)15-8-6-7-14-10-9-13(5)17-16(14)15/h6-8,11-13,17H,9-10H2,1-5H3
InChIKeyCPFJAMZCCKMYSR-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide
CID 55153267
1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea
CID 79154072
2-methyl-7-propan-2-yl-2,3-dihydro-1H-indole
CID 82276811
(2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline
CID 175045275
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]ethanol
CID 43197064
N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-phenylacetamide
CID 62954785
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide
CID 43825934
3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide
CID 62953750
2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline
CID 112589966
7-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 22759546
N-methyl-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]propanamide
CID 62324448

Frequently Asked Questions

What is the IUPAC name of 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline (CID 142738926) is 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CCc2cccc(P(=O)(C(C)C)C(C)C)c2N1.
What is the InChIKey of 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CPFJAMZCCKMYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NOP/c1-11(2)19(18,12(3)4)15-8-6-7-14-10-9-13(5)17-16(14)15/h6-8,11-13,17H,9-10H2,1-5H3.
What are the key properties of 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline?
8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 279.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142738926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).