(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine

C17H17F2NO — CID 107515266

IUPAC(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
SMILESCc1ccc(C(N)C2OCCc3ccccc32)c(F)c1F
InChIInChI=1S/C17H17F2NO/c1-10-6-7-13(15(19)14(10)18)16(20)17-12-5-3-2-4-11(12)8-9-21-17/h2-7,16-17H,8-9,20H2,1H3
InChIKeyZRLPFDGBMQHNKH-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.59
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine

(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine (PubChem CID 107515266) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
PubChem CID107515266
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
SMILESCc1ccc(C(N)C2OCCc3ccccc32)c(F)c1F
InChIInChI=1S/C17H17F2NO/c1-10-6-7-13(15(19)14(10)18)16(20)17-12-5-3-2-4-11(12)8-9-21-17/h2-7,16-17H,8-9,20H2,1H3
InChIKeyZRLPFDGBMQHNKH-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154979
3,4-dihydro-1H-isochromen-1-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397447
3,4-dihydro-1H-isochromen-1-yl-(3-methylphenyl)methanamine
CID 105090457
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292632
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylbut-2-en-1-amine
CID 105163207
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
CID 107512914
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 105090028

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine (CID 107515266) is (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine is Cc1ccc(C(N)C2OCCc3ccccc32)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine?
The InChIKey is ZRLPFDGBMQHNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10-6-7-13(15(19)14(10)18)16(20)17-12-5-3-2-4-11(12)8-9-21-17/h2-7,16-17H,8-9,20H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine?
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine has a molecular weight of 289.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine is sourced from PubChem (CID 107515266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).