N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride

C11H16Cl2N2 — CID 139930761

IUPACN'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C11H15ClN2.ClH/c12-9-2-3-10-8(7-9)1-4-11(10)14-6-5-13;/h2-3,7,11,14H,1,4-6,13H2;1H
InChIKeyQVIQPQJPGUDJHN-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.30
Rot. Bonds3

About N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride

N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 139930761) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
PubChem CID139930761
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC NameN'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C11H15ClN2.ClH/c12-9-2-3-10-8(7-9)1-4-11(10)14-6-5-13;/h2-3,7,11,14H,1,4-6,13H2;1H
InChIKeyQVIQPQJPGUDJHN-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 81343383
5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115720823
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
5-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 81301651
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
5-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777234
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 81300774

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride (CID 139930761) is N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride is Cl.NCCNC1CCc2cc(Cl)ccc21.
What is the InChIKey of N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is QVIQPQJPGUDJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.ClH/c12-9-2-3-10-8(7-9)1-4-11(10)14-6-5-13;/h2-3,7,11,14H,1,4-6,13H2;1H.
What are the key properties of N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride?
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 139930761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).