(1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C10H13BrClN — CID 131887016

IUPAC(1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCc1c(Br)ccc2c1CC[C@@H]2N.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-6-7-3-5-10(12)8(7)2-4-9(6)11;/h2,4,10H,3,5,12H2,1H3;1H/t10-;/m0./s1
InChIKeyFVNCZQLSTVTANK-PPHPATTJSA-N
MW262.58 g/mol
LogP3.13
Rot. Bonds

About (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

(1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 131887016) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID131887016
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name(1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCc1c(Br)ccc2c1CC[C@@H]2N.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-6-7-3-5-10(12)8(7)2-4-9(6)11;/h2,4,10H,3,5,12H2,1H3;1H/t10-;/m0./s1
InChIKeyFVNCZQLSTVTANK-PPHPATTJSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 131887016) is (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cc1c(Br)ccc2c1CC[C@@H]2N.Cl.
What is the InChIKey of (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is FVNCZQLSTVTANK-PPHPATTJSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-6-7-3-5-10(12)8(7)2-4-9(6)11;/h2,4,10H,3,5,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
(1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 131887016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).