6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine

C15H17ClF3N — CID 106209951

IUPAC6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NC1(C(F)(F)F)CC1
InChIInChI=1S/C15H17ClF3N/c1-13(2)8-9-3-4-10(16)7-11(9)12(13)20-14(5-6-14)15(17,18)19/h3-4,7,12,20H,5-6,8H2,1-2H3
InChIKeyRLCZGYUOLKGMSI-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.65
Rot. Bonds2

About 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine (PubChem CID 106209951) has the molecular formula C15H17ClF3N and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine
PubChem CID106209951
Molecular FormulaC15H17ClF3N
Molecular Weight303.75 g/mol
Exact Mass303.10
IUPAC Name6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NC1(C(F)(F)F)CC1
InChIInChI=1S/C15H17ClF3N/c1-13(2)8-9-3-4-10(16)7-11(9)12(13)20-14(5-6-14)15(17,18)19/h3-4,7,12,20H,5-6,8H2,1-2H3
InChIKeyRLCZGYUOLKGMSI-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine (CID 106209951) is 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NC1(C(F)(F)F)CC1.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine?
The InChIKey is RLCZGYUOLKGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N/c1-13(2)8-9-3-4-10(16)7-11(9)12(13)20-14(5-6-14)15(17,18)19/h3-4,7,12,20H,5-6,8H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine has a molecular weight of 303.75 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 106209951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).