1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine

C17H19NO — CID 105083589

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)C1OCCc2ccccc21
InChIInChI=1S/C17H19NO/c1-18-16(14-8-3-2-4-9-14)17-15-10-6-5-7-13(15)11-12-19-17/h2-10,16-18H,11-12H2,1H3
InChIKeyLLJKGKCJKXQLDR-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.26
Rot. Bonds3

About 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine

1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine (PubChem CID 105083589) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
PubChem CID105083589
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)C1OCCc2ccccc21
InChIInChI=1S/C17H19NO/c1-18-16(14-8-3-2-4-9-14)17-15-10-6-5-7-13(15)11-12-19-17/h2-10,16-18H,11-12H2,1H3
InChIKeyLLJKGKCJKXQLDR-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
1-[(1E)-cycloocten-1-yl]-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 106656386
3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
CID 15526486
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103456
1-(4-chloro-2-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105173580
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105189671
1-(3,4-dihydro-1H-isochromen-1-yl)-N,2-dimethylbutan-1-amine
CID 105170411
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105182833
1-(3,4-dihydro-1H-isochromen-1-yl)-N,3-dimethylbut-3-en-1-amine
CID 105162904
N-[3,4-dihydro-1H-isochromen-1-yl(pyrimidin-5-yl)methyl]ethanamine
CID 105118645
[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine
CID 105301905
[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305603

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine (CID 105083589) is 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine?
The InChIKey is LLJKGKCJKXQLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-16(14-8-3-2-4-9-14)17-15-10-6-5-7-13(15)11-12-19-17/h2-10,16-18H,11-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine?
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine has a molecular weight of 253.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 105083589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).