6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine

C15H19ClF3N — CID 83066119

IUPAC6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCC(F)(F)F
InChIInChI=1S/C15H19ClF3N/c1-14(2)9-10-4-5-11(16)8-12(10)13(14)20-7-3-6-15(17,18)19/h4-5,8,13,20H,3,6-7,9H2,1-2H3
InChIKeyZBIBTFFGVWJENF-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.90
Rot. Bonds4

About 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine (PubChem CID 83066119) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine
PubChem CID83066119
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCC(F)(F)F
InChIInChI=1S/C15H19ClF3N/c1-14(2)9-10-4-5-11(16)8-12(10)13(14)20-7-3-6-15(17,18)19/h4-5,8,13,20H,3,6-7,9H2,1-2H3
InChIKeyZBIBTFFGVWJENF-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indatraline hydrochloride
CID 10314472
3-(3,4-Dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
CID 3020938
[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806
3-(3,4-dichlorophenyl)-N-propyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 13543888
3-(3-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260280
3-(3,4-dichlorophenyl)-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260284
3-(3,4-dichlorophenyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260288
3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45264380
1-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-3,3-dimethyl-piperazine
CID 10043978
tert-Butyl-[3-(3,4-dichloro-phenyl)-indan-1-yl]-methyl-amine;chloride
CID 10520686
(-)-trans-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine;chloride
CID 10591764
(1S,3S)-N-tert-butyl-3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 10688125

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine (CID 83066119) is 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCCCC(F)(F)F.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine?
The InChIKey is ZBIBTFFGVWJENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-14(2)9-10-4-5-11(16)8-12(10)13(14)20-7-3-6-15(17,18)19/h4-5,8,13,20H,3,6-7,9H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine has a molecular weight of 305.77 g/mol, XLogP of 4.90, 4 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-(4,4,4-trifluorobutyl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).