N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride

C12H18ClN — CID 45262790

IUPACN-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCC(C)NC1Cc2ccccc2C1.Cl
InChIInChI=1S/C12H17N.ClH/c1-9(2)13-12-7-10-5-3-4-6-11(10)8-12;/h3-6,9,12-13H,7-8H2,1-2H3;1H
InChIKeySYDOEUNVMAZRBM-UHFFFAOYSA-N
MW211.74 g/mol
LogP2.57
Rot. Bonds2

About N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride

N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 45262790) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound NameN-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID45262790
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC NameN-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCC(C)NC1Cc2ccccc2C1.Cl
InChIInChI=1S/C12H17N.ClH/c1-9(2)13-12-7-10-5-3-4-6-11(10)8-12;/h3-6,9,12-13H,7-8H2,1-2H3;1H
InChIKeySYDOEUNVMAZRBM-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 45262790) is N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CC(C)NC1Cc2ccccc2C1.Cl.
What is the InChIKey of N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is SYDOEUNVMAZRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-9(2)13-12-7-10-5-3-4-6-11(10)8-12;/h3-6,9,12-13H,7-8H2,1-2H3;1H.
What are the key properties of N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 45262790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).