[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine

C17H19N — CID 66481637

IUPAC[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N/c1-12-9-13(11-18)5-8-17(12)16-7-6-14-3-2-4-15(14)10-16/h5-10H,2-4,11,18H2,1H3
InChIKeyPLPOCKIJKOAQMG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.61
Rot. Bonds2

About [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine

[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine (PubChem CID 66481637) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine
PubChem CID66481637
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N/c1-12-9-13(11-18)5-8-17(12)16-7-6-14-3-2-4-15(14)10-16/h5-10H,2-4,11,18H2,1H3
InChIKeyPLPOCKIJKOAQMG-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine (CID 66481637) is [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1-c1ccc2c(c1)CCC2.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine?
The InChIKey is PLPOCKIJKOAQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-9-13(11-18)5-8-17(12)16-7-6-14-3-2-4-15(14)10-16/h5-10H,2-4,11,18H2,1H3.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine?
[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methanamine is sourced from PubChem (CID 66481637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).