7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine

C24H33N — CID 21440795

IUPAC7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine
SMILESCCC(N)(CC)CCCC(c1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C24H33N/c1-3-24(25,4-2)16-10-15-23(19-11-6-5-7-12-19)22-17-20-13-8-9-14-21(20)18-22/h5-9,11-14,22-23H,3-4,10,15-18,25H2,1-2H3
InChIKeyDQXUWOFZXCWXPT-UHFFFAOYSA-N
MW335.54 g/mol
LogP5.87
Rot. Bonds8

About 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine

7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine (PubChem CID 21440795) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine
PubChem CID21440795
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine
SMILESCCC(N)(CC)CCCC(c1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C24H33N/c1-3-24(25,4-2)16-10-15-23(19-11-6-5-7-12-19)22-17-20-13-8-9-14-21(20)18-22/h5-9,11-14,22-23H,3-4,10,15-18,25H2,1-2H3
InChIKeyDQXUWOFZXCWXPT-UHFFFAOYSA-N
XLogP5.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine?
The IUPAC name of 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine (CID 21440795) is 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine.
What is the SMILES notation for 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine?
The canonical SMILES for 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine is CCC(N)(CC)CCCC(c1ccccc1)C1Cc2ccccc2C1.
What is the InChIKey of 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine?
The InChIKey is DQXUWOFZXCWXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-3-24(25,4-2)16-10-15-23(19-11-6-5-7-12-19)22-17-20-13-8-9-14-21(20)18-22/h5-9,11-14,22-23H,3-4,10,15-18,25H2,1-2H3.
What are the key properties of 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine?
7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine has a molecular weight of 335.54 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-inden-2-yl)-3-ethyl-7-phenylheptan-3-amine is sourced from PubChem (CID 21440795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).