N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride

C11H16ClNO — CID 134205887

IUPACN,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
SMILESCNC1COC(C)c2ccccc21.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-9-5-3-4-6-10(9)11(12-2)7-13-8;/h3-6,8,11-12H,7H2,1-2H3;1H
InChIKeyFDIAROUADIOMHC-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.46
Rot. Bonds1

About N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride

N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride (PubChem CID 134205887) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride.

Molecular Properties

Compound NameN,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
PubChem CID134205887
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
SMILESCNC1COC(C)c2ccccc21.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-9-5-3-4-6-10(9)11(12-2)7-13-8;/h3-6,8,11-12H,7H2,1-2H3;1H
InChIKeyFDIAROUADIOMHC-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-methyl-3,4-dihydro-1H-isochromene
CID 175402558
(1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 175666140
N,3-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63821740
3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
CID 112546911
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
(4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54133361
1H-isochromen-4-one;N-methyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 159642623
1-(1-methyl-3,4-dihydro-1H-isochromen-4-yl)-4-phenylpiperazine
CID 13462902
N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114240817
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
2-methyloxirane;N-phenylaniline
CID 174992525

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The IUPAC name of N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride (CID 134205887) is N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride.
What is the SMILES notation for N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The canonical SMILES for N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride is CNC1COC(C)c2ccccc21.Cl.
What is the InChIKey of N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The InChIKey is FDIAROUADIOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-8-9-5-3-4-6-10(9)11(12-2)7-13-8;/h3-6,8,11-12H,7H2,1-2H3;1H.
What are the key properties of N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride is sourced from PubChem (CID 134205887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).