3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine

C19H23NO — CID 105154979

IUPAC3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2OCCc3ccccc32)cc1C
InChIInChI=1S/C19H23NO/c1-12-10-14(3)17(11-13(12)2)18(20)19-16-7-5-4-6-15(16)8-9-21-19/h4-7,10-11,18-19H,8-9,20H2,1-3H3
InChIKeyLUWVAVPAXPFCGM-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.93
Rot. Bonds2

About 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine

3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine (PubChem CID 105154979) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
PubChem CID105154979
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2OCCc3ccccc32)cc1C
InChIInChI=1S/C19H23NO/c1-12-10-14(3)17(11-13(12)2)18(20)19-16-7-5-4-6-15(16)8-9-21-19/h4-7,10-11,18-19H,8-9,20H2,1-3H3
InChIKeyLUWVAVPAXPFCGM-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.93
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)methanamine
CID 107515266
3,4-dihydro-1H-isochromen-1-yl-(3-methylphenyl)methanamine
CID 105090457
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
3,4-dihydro-1H-isochromen-1-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397447
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
[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
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
1-(3,4-dihydro-1H-isochromen-1-yl)-4,4-dimethylpentan-1-amine
CID 105139926
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2,6-dimethylphenyl)ethanol
CID 105120750

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine (CID 105154979) is 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2OCCc3ccccc32)cc1C.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is LUWVAVPAXPFCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12-10-14(3)17(11-13(12)2)18(20)19-16-7-5-4-6-15(16)8-9-21-19/h4-7,10-11,18-19H,8-9,20H2,1-3H3.
What are the key properties of 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine?
3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 105154979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).