6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine

C13H18ClN — CID 79838334

IUPAC6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
SMILESCc1cc(Cl)c(C)c2c1C(C)(C)CC2N
InChIInChI=1S/C13H18ClN/c1-7-5-9(14)8(2)11-10(15)6-13(3,4)12(7)11/h5,10H,6,15H2,1-4H3
InChIKeyZNMCAYLRDMTNMU-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.64
Rot. Bonds

About 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine

6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine (PubChem CID 79838334) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
PubChem CID79838334
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
SMILESCc1cc(Cl)c(C)c2c1C(C)(C)CC2N
InChIInChI=1S/C13H18ClN/c1-7-5-9(14)8(2)11-10(15)6-13(3,4)12(7)11/h5,10H,6,15H2,1-4H3
InChIKeyZNMCAYLRDMTNMU-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine?
The IUPAC name of 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine (CID 79838334) is 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine is Cc1cc(Cl)c(C)c2c1C(C)(C)CC2N.
What is the InChIKey of 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine?
The InChIKey is ZNMCAYLRDMTNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-7-5-9(14)8(2)11-10(15)6-13(3,4)12(7)11/h5,10H,6,15H2,1-4H3.
What are the key properties of 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine?
6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79838334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).