2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine

C16H25ClN2 — CID 81345581

IUPAC2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H25ClN2/c1-4-19(5-2)11-12(3)18-16-9-6-13-10-14(17)7-8-15(13)16/h7-8,10,12,16,18H,4-6,9,11H2,1-3H3
InChIKeyBSYWTMAJYWHACO-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.65
Rot. Bonds6

About 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine

2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 81345581) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID81345581
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H25ClN2/c1-4-19(5-2)11-12(3)18-16-9-6-13-10-14(17)7-8-15(13)16/h7-8,10,12,16,18H,4-6,9,11H2,1-3H3
InChIKeyBSYWTMAJYWHACO-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 81345581) is 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is BSYWTMAJYWHACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-19(5-2)11-12(3)18-16-9-6-13-10-14(17)7-8-15(13)16/h7-8,10,12,16,18H,4-6,9,11H2,1-3H3.
What are the key properties of 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 81345581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).