N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide

C12H16N2O — CID 23333330

IUPACN-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide
SMILESCN1CCc2ccccc2C1CNC=O
InChIInChI=1S/C12H16N2O/c1-14-7-6-10-4-2-3-5-11(10)12(14)8-13-9-15/h2-5,9,12H,6-8H2,1H3,(H,13,15)
InChIKeyFKUDWTAUYHXETB-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.96
Rot. Bonds3

About N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide

N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide (PubChem CID 23333330) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide
PubChem CID23333330
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide
SMILESCN1CCc2ccccc2C1CNC=O
InChIInChI=1S/C12H16N2O/c1-14-7-6-10-4-2-3-5-11(10)12(14)8-13-9-15/h2-5,9,12H,6-8H2,1H3,(H,13,15)
InChIKeyFKUDWTAUYHXETB-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
CID 21030190
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732430
2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide
CID 4732456
2-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethyl]isoindole-1,3-dione
CID 123735007
N-(5-chloro-2-pyridinyl)-2-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 943818
2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995589
2-methyl-1-[(1-methylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 116995605
1-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 13117673
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732371
3-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-enal
CID 54419181
N-[(5,6-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)methyl]formamide
CID 13472768

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide?
The IUPAC name of N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide (CID 23333330) is N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide.
What is the SMILES notation for N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide?
The canonical SMILES for N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide is CN1CCc2ccccc2C1CNC=O.
What is the InChIKey of N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide?
The InChIKey is FKUDWTAUYHXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-7-6-10-4-2-3-5-11(10)12(14)8-13-9-15/h2-5,9,12H,6-8H2,1H3,(H,13,15).
What are the key properties of N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide?
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide has a molecular weight of 204.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide is sourced from PubChem (CID 23333330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).