5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine

C10H12ClN — CID 91618885

IUPAC5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(Cl)cc2c1C(N)CC2
InChIInChI=1S/C10H12ClN/c1-6-4-8(11)5-7-2-3-9(12)10(6)7/h4-5,9H,2-3,12H2,1H3
InChIKeyCKMJDPJGASCLSL-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.59
Rot. Bonds

About 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine

5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 91618885) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID91618885
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(Cl)cc2c1C(N)CC2
InChIInChI=1S/C10H12ClN/c1-6-4-8(11)5-7-2-3-9(12)10(6)7/h4-5,9H,2-3,12H2,1H3
InChIKeyCKMJDPJGASCLSL-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine (CID 91618885) is 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine is Cc1cc(Cl)cc2c1C(N)CC2.
What is the InChIKey of 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CKMJDPJGASCLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-6-4-8(11)5-7-2-3-9(12)10(6)7/h4-5,9H,2-3,12H2,1H3.
What are the key properties of 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine?
5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 181.67 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 91618885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).