4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine

C12H15Cl2N — CID 61383390

IUPAC4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C12H15Cl2N/c1-2-7-15-11-6-4-9-8(11)3-5-10(13)12(9)14/h3,5,11,15H,2,4,6-7H2,1H3
InChIKeyNEWVJKMMYVORSJ-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.98
Rot. Bonds3

About 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine

4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 61383390) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID61383390
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C12H15Cl2N/c1-2-7-15-11-6-4-9-8(11)3-5-10(13)12(9)14/h3,5,11,15H,2,4,6-7H2,1H3
InChIKeyNEWVJKMMYVORSJ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 61383390) is 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2c1ccc(Cl)c2Cl.
What is the InChIKey of 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NEWVJKMMYVORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-2-7-15-11-6-4-9-8(11)3-5-10(13)12(9)14/h3,5,11,15H,2,4,6-7H2,1H3.
What are the key properties of 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine?
4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 244.16 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 61383390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).