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

C11H16NP — CID 155201597

IUPAC(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
SMILESCN1CCc2cc(CP)ccc2C1
InChIInChI=1S/C11H16NP/c1-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyBFFCSYKSPSREMC-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.05
Rot. Bonds1

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

(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane (PubChem CID 155201597) has the molecular formula C11H16NP and a molecular weight of 193.23 g/mol. Its IUPAC name is (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane.

Molecular Properties

Compound Name(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
PubChem CID155201597
Molecular FormulaC11H16NP
Molecular Weight193.23 g/mol
Exact Mass193.10
IUPAC Name(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
SMILESCN1CCc2cc(CP)ccc2C1
InChIInChI=1S/C11H16NP/c1-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKeyBFFCSYKSPSREMC-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine
CID 170078388
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
CID 105474708
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170099956
buta-1,3-diene;2-methyl-6-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 155698227
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
CID 105493498
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
CID 82502825

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane?
The IUPAC name of (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane (CID 155201597) is (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane.
What is the SMILES notation for (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane?
The canonical SMILES for (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane is CN1CCc2cc(CP)ccc2C1.
What is the InChIKey of (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane?
The InChIKey is BFFCSYKSPSREMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NP/c1-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-3,6H,4-5,7-8,13H2,1H3.
What are the key properties of (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane?
(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane has a molecular weight of 193.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane is sourced from PubChem (CID 155201597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).