(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid

C11H14N2O2 — CID 54262288

IUPAC(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid
SMILESCC1c2ccccc2CCN1NC(=O)O
InChIInChI=1S/C11H14N2O2/c1-8-10-5-3-2-4-9(10)6-7-13(8)12-11(14)15/h2-5,8,12H,6-7H2,1H3,(H,14,15)
InChIKeyREIRBOUBQARBHA-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.79
Rot. Bonds1

About (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid

(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid (PubChem CID 54262288) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid
PubChem CID54262288
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid
SMILESCC1c2ccccc2CCN1NC(=O)O
InChIInChI=1S/C11H14N2O2/c1-8-10-5-3-2-4-9(10)6-7-13(8)12-11(14)15/h2-5,8,12H,6-7H2,1H3,(H,14,15)
InChIKeyREIRBOUBQARBHA-UHFFFAOYSA-N
XLogP1.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid 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

(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 23043046
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
CID 139381518
N-[4-[(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide
CID 110750745
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
(1S)-2-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 175310429
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 171702269
(1S)-N-(2-bromophenyl)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121272981
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493
furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 53194905
sodium 1-methyl-3,4-dihydro-1H-isoquinoline-2-carbodithioate
CID 71677706
N-(3-chloro-4-methylphenyl)-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171691578

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid?
The IUPAC name of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid (CID 54262288) is (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid.
What is the SMILES notation for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid?
The canonical SMILES for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid is CC1c2ccccc2CCN1NC(=O)O.
What is the InChIKey of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid?
The InChIKey is REIRBOUBQARBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-10-5-3-2-4-9(10)6-7-13(8)12-11(14)15/h2-5,8,12H,6-7H2,1H3,(H,14,15).
What are the key properties of (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid?
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid has a molecular weight of 206.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid is sourced from PubChem (CID 54262288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).