[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine

C17H19NO — CID 118597841

IUPAC[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESCc1ccc(-c2ccc3c(c2)OCCC3CN)cc1
InChIInChI=1S/C17H19NO/c1-12-2-4-13(5-3-12)14-6-7-16-15(11-18)8-9-19-17(16)10-14/h2-7,10,15H,8-9,11,18H2,1H3
InChIKeyZIUMXFYFSNAWCV-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.49
Rot. Bonds2

About [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine

[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine (PubChem CID 118597841) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine.

Molecular Properties

Compound Name[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
PubChem CID118597841
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESCc1ccc(-c2ccc3c(c2)OCCC3CN)cc1
InChIInChI=1S/C17H19NO/c1-12-2-4-13(5-3-12)14-6-7-16-15(11-18)8-9-19-17(16)10-14/h2-7,10,15H,8-9,11,18H2,1H3
InChIKeyZIUMXFYFSNAWCV-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The IUPAC name of [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine (CID 118597841) is [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine.
What is the SMILES notation for [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The canonical SMILES for [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine is Cc1ccc(-c2ccc3c(c2)OCCC3CN)cc1.
What is the InChIKey of [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The InChIKey is ZIUMXFYFSNAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-2-4-13(5-3-12)14-6-7-16-15(11-18)8-9-19-17(16)10-14/h2-7,10,15H,8-9,11,18H2,1H3.
What are the key properties of [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine is sourced from PubChem (CID 118597841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).