5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine

C14H20ClN — CID 173444722

IUPAC5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine
SMILESCc1cc2c(c(N)c1Cl)C(C)(C)CC2(C)C
InChIInChI=1S/C14H20ClN/c1-8-6-9-10(12(16)11(8)15)14(4,5)7-13(9,2)3/h6H,7,16H2,1-5H3
InChIKeyPOSUKGSPCMEGTG-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.19
Rot. Bonds

About 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine

5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine (PubChem CID 173444722) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine.

Molecular Properties

Compound Name5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine
PubChem CID173444722
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine
SMILESCc1cc2c(c(N)c1Cl)C(C)(C)CC2(C)C
InChIInChI=1S/C14H20ClN/c1-8-6-9-10(12(16)11(8)15)14(4,5)7-13(9,2)3/h6H,7,16H2,1-5H3
InChIKeyPOSUKGSPCMEGTG-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine?
The IUPAC name of 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine (CID 173444722) is 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine.
What is the SMILES notation for 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine?
The canonical SMILES for 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine is Cc1cc2c(c(N)c1Cl)C(C)(C)CC2(C)C.
What is the InChIKey of 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine?
The InChIKey is POSUKGSPCMEGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-8-6-9-10(12(16)11(8)15)14(4,5)7-13(9,2)3/h6H,7,16H2,1-5H3.
What are the key properties of 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine?
5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine has a molecular weight of 237.77 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1,3,3,6-pentamethyl-2H-inden-4-amine is sourced from PubChem (CID 173444722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).